für

MAX-PLANCK-INSTITUT

MIKROSTRUKTURPHYSIK

HALLE

ANNUAL REPORT 2013

01.11.2012 - 31.10.2013

Board of Directors

Prof. Dr. Peter Fratzl (Interim Director)Prof. Dr. Eberhard K. U. GrossProf. Dr. Jürgen Kirschner

Managing Director

Prof. Dr. Eberhard K. U. Gross

Representative of the Institute

Dr. Andreas Berger

Address

Weinberg 2D-06120 Halle

Tel.: +49-345-5582-50 Fax.: +49-345-5511-223

Secretary

Tel.: +49-345-5582-764 Fax.: +49-345-5582-765 E-mail: info@mpi-halle.mpg.de

E-Mail

E. K. U. Gross managing.director@mpi-halle.mpg.deA. Berger berger@mpi-halle.mpg.de

WWW

http://www.mpi-halle.mpg.de

Members of the Scientific Advisory Board

Prof. Dr. Stefan BlügelInstitut für Festkörperforschung,Forschungszentrum Jülich

Prof. Dr. Harald BruneInstitut de Physique de Nanostructures,École Polytechnique Fédérale de Lausanne

Prof. Dr. Jörn ManzInstitut für Chemie und Biochemie,Freie Universität Berlin

Prof. Dr. ir. Bene PoelsemaFaculteit Technische Natuurkunde,Universiteit Twente

Prof. Dr. Lucia ReiningLaboratoire des Solides Irradiés,École Polytechnique, Palaiseau

Prof. Dr. Frans SpaepenSchool of Engineering and Applied Sciences,Harvard University, Cambridge

Prof. Dr. Giovanni VignaleDepartment of Physics and Astronomy,University of Missouri, Columbia

Director Emeritus

Prof. Dr. Johannes Heydenreich

External Scientific Members

Prof. Dr. Peter GrünbergInstitut für Festkörperforschung,Forschungszentrum Jülich

Prof. Dr. Sajeev JohnDepartment of Physics and Astronomy,University of Toronto

Contents

Preface 7Experimental Department I . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8Experimental Department II . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9Theory Department . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10International Max Planck Research School for Science and Technology of

Nanostructures (Nano-IMPRS) . . . . . . . . . . . . . . . . . . . . . . . . . 11Max Planck Fellow Group - Prof. Mertig . . . . . . . . . . . . . . . . . . . . . . . 12Max Planck Fellow Group - Prof. Widdra . . . . . . . . . . . . . . . . . . . . . . 13

Selected Results 15Quantum well state effect on the magnetocrystalline anisotropy of Fe films . . . . 16Film stress in epitaxial SrTiO3 layers . . . . . . . . . . . . . . . . . . . . . . . . . 18Exploring highly correlated materials via electron pair emission . . . . . . . . . . . 20Modification of structure and magnetic properties in O/Fe(001)-p(1×1) induced

by mesoscopic misfit . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22Controlling magnetic anisotropy via the interface exchange coupling . . . . . . . . 24Nucleation-induced self-assembly of epitaxial multiferroic BiFeO3-CoFe2O4

nanocomposites . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26Investigation of recombination-active grain boundaries by high resolution lock-in

thermography and light beam induced current measurements . . . . . . . . 28Influence of sample thickness and probe size on the Z-contrast of SRO/PCMO

superlattices . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30High concentration of Al catalyst atoms in Si nanowires . . . . . . . . . . . . . . . 32Correlated optical and structural analysis of individual p-GaAs/AlGaAs core/shell

nanowires . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34Transverse spin-gradient approximation: A novel xc functional for non-collinear

magnetism . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36Steps in the exact time-dependent potential energy surface . . . . . . . . . . . . . 38Spectra from reduced density matrix functional theory . . . . . . . . . . . . . . . 40Tuning magnetic anisotropy in metallic multilayers by direct surface charging . . . 42Impact of atomic structure on the magnon dispersion relation . . . . . . . . . . . 44Ab initio study of the spin relaxation in graphene caused by impurities . . . . . . . 46Double photoemission experiments using time-of-flight spectroscopy with a

laboratory megahertz high-harmonic light source . . . . . . . . . . . . . . . 48

Personnel 51Scientific staff and guests . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51Scientists from abroad . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61Third-party funds . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61

BMBF Projects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61

5

Contents

DFG Projects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62Collaborative Research Centres (DFG Sonderforschungsbereiche) . . . . . . 63EU Projects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64Federal Ministry for the Environment, Nature Conservation and Nuclear

Safety . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65Miscellaneous / Industrial Funding . . . . . . . . . . . . . . . . . . . . . . . 65

Doctoral, habilitation and diploma theses . . . . . . . . . . . . . . . . . . . . . . 65Dissertations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65

Awards . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66Appointments as professor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66Activities in scientific boards . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67

Academies, scientific societies, committees etc. . . . . . . . . . . . . . . . . 67Publishing committees of scientific journals . . . . . . . . . . . . . . . . . . 68Preparing committees of conferences . . . . . . . . . . . . . . . . . . . . . . 68

Scientific events 71Scientific meetings . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71Joint Colloquia with the Institute of Physics at the Martin Luther University

Halle-Wittenberg . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71Institute seminars . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71SFB Colloquia . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72Ring Lectures Nano-IMPRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73Visiting groups . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74Events for the public at large . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74University lectures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74

Publications and presentations 77Journals and books . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77Conference proceedings . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91Invited lectures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93Contributed presentations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106Author and editor index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137

6

Preface

The Max Planck Institute of Microstructure Physics focuses primarily on solid state phenom-ena determined by small dimensions, surfaces and interfaces.

Our Institute was founded in 1992 as the Max Planck Society’s first institute in Ger-many’s new federal states. The Institute has three departments:

• Experimental Department I (Director: Prof. Dr. J. Kirschner)

• Experimental Department II (former Director: Prof. Dr. U. Gösele, Interim Director:Prof. Dr. P. Fratzl)

• Theory Department (Director: Prof. Dr. E. K. U. Gross)

and

• International Max Planck Research School (Spokesperson: Prof. Dr. E. K. U. Gross)

• Max Planck Fellow Group (Head: Prof. Dr. I. Mertig,Martin Luther University Halle-Wittenberg)

• Max Planck Fellow Group (Head: Prof. Dr. W. Widdra,Martin Luther University Halle-Wittenberg)

Through our research we want to reveal relations between the magnetic, electronic andoptical properties of solids and their microstructure. We explore thin films, surfaces, andnanocrystalline materials. Our findings provide information for creating new and improvedfunctional or structural materials. The individual departments’ fields of research are outlinedon the following three pages.

Since April 2005, the Institute hosts the International Max Planck Research School forScience and Technology of Nanostructures (Nano-IMPRS). This is a joint initiative fundedby the Max Planck Society and the federal state of Saxony-Anhalt. Our partners are Mar-tin Luther University Halle-Wittenberg and Fraunhofer Institute for Mechanics of MaterialsHalle.

In October 2013, the MPI staff comprised 102 positions, including scientific, techni-cal, and administrative personnel. These positions were filled by 42 scientists (20 of thosenon-tenured) and 61 non-scientists (9 of those non-tenured). Additionally, 5 scientists witha temporary contract were financed by the Max Planck Society. During the period underreview, third-party funds financed 40 coworkers including 17 graduates studying for a doc-torate. Finally, 70 graduate students and postdocs were financed by the Max Planck Society.Of all those coworkers listed above, 104 came from abroad.

7

Experimental Department I Preface

Experimental Department I

We do basic research on magnetic properties of materials at reduced dimensionality. Thisincludes magnetic surfaces, thin films, wires, and dots with linear scales of 1 to 1,000 atoms.We are particularly interested in the correlation between structural properties and growthmodes of these structures on the one hand, and their magnetic and electronic propertieson the other hand.

Thin films are grown by molecular beam epitaxy and/or laser ablation. Magnetic wiresand dots are made by using specially structured substrates for molecular beam epitaxy. Sur-face structures are analyzed by surface X-ray diffraction, scanning tunneling microscopy,and low energy electron diffraction. Magnetic properties of surfaces, interfaces, and mag-netic nanostructures are analyzed by spin-polarized low energy electron scattering, spin-polarized scanning tunneling microscopy and by photoemission with femtosecond lasers.The magneto-optic Kerr effect serves as a transfer standard between different experiments.Our present interests also include oxides, either as ferromagnets in their own right or as insu-lating films in spin-polarized tunneling devices for magnetoelectronics applications. We arecurrently exploring experimental ways to reveal electron correlation and positron-electroncorrelation effects by means of coincidence spectroscopy.

Our long-standing (since 2003) enjoyable and fruitful cooperation with the LaboratoireLouis Néel (Grenoble, France) within the framework of the Laboratoire Européen Associé(LEA) will be continued on a less intense level. The reason lies in the expiration of theformer generous funding by CNRS and the Max Planck Society. Since April 2010 we havea new collaboration with the India Fellow group of Prof. Anil Kumar at the Indian Instituteof Science, Bangalore, India. The field of common interest is surface magnetism of metalsand oxides probed by elastic spin-polarized electron scattering.

8

Preface Experimental Department II

Experimental Department II

Design, fabrication and characterization of nanoscale materials and structures are at thecenter of interest of the Experimental Department II. This general philosophy was estab-lished by Prof. Ulrich Gösele in 1993 and essentially maintained after he passed awayunexpectedly at the end of 2009. The present research capabilities include methods to fab-ricate nanowires and nanotubes, macroporous silicon as well as functional oxides. Molec-ular beam epitaxy, laser deposition and cleanroom facilities are available. Advanced highresolution and analytical electron optical techniques are indispensable research tools, com-plemented by the appropriate simulation techniques. We are renting cleanroom facilitiesin a nearby Center for Nanostructured Materials, which also houses a focused ion beammachine, a high resolution SEM and a 100 keV electron beam lithography facility. Our ma-terials research addresses a variety of semiconductors, ferroelectrics, multiferroics, as wellas other materials, such as composites.

Recent results, which are presented in this annual report, include experimental workon nanowires of silicon and compound semiconductors. In the area of functional oxidenanomaterials, physical processes in ferroelectric and multiferroic nanocomposites and het-erostructures have been characterized in detail. In addition, the electron microscopy poten-tial of the department (TITAN 80-300) was used to collaborate with the Max Planck Instituteof Colloids and Interfaces Potsdam studying nanostructure and function of biomaterials.

Two research teams are currently active within the BMBF-funded research project “SiLi-nano”. This joint activity of the Martin Luther University, the Fraunhofer Institute for Me-chanics of Materials, and of the MPI is to accelerate the development of photovoltaics andsilicon photonics.

The department is also strongly involved in collaborative research activities in a Networkof Excellence “Nanostructured Materials” of the Martin Luther University, financed by theState of Saxony-Anhalt, as well as in the Collaborative Research Centre (SFB 762) “Function-ality of Oxide Interfaces”, funded by the German Research Foundation. SFB 762 has beenapproved by the DFG for a second period ranging until 12/2015. The European project“Interfacing Oxides” (IFOX) is focused on creating novel oxide-based nanoelectronics. Weare collaborating in this field with 15 European partners until 2014.

The junior groups “Functional 3D Nanostructures by ALD” (M. Knez) and “NanoscaleFerroelectric and Multiferroic Heterostructures” (I. Vrejoiu) finished their activities at ourMPI. M. Knez got an appointment as professor at CIC nanoGUNE (San Sebastian, Spain),and I. Vrejoiu moved her group to Stuttgart.

Since 2009, the department has been shrinking in staff numbers and is preparing forsubstantial evolution of the scientific profile with the appointment of a new director in theimmediate future.

9

Theory Department Preface

Theory Department

The Theory Department started its activities in April 1998. The first director, Prof. Dr.P. Bruno, moved to the European Synchrotron Radiation Facility (ESRF) in Grenoble onDecember 15, 2007. Prof. Dr. E.K.U. Gross was hired as the new director on July 1, 2009.The current research is focused on electronic, optical, magnetic, and transport propertiesof micro- and nanostructured systems, with particular emphasis on studying these systemsalso in the time domain. The main research topics are:

Ab initio description of strongly correlated solids. For Mott-type transition-metaloxides, traditional density functional methods, such as LDA and GGA, fail completely:They typically predict a metallic ground state instead of the antiferromagnetic insulat-ing phase found in nature. With a spectrum of advanced electronic-structure methods,such as Reduced-Density-Matrix-Functional Theory (RDMFT), dynamical mean field the-ory (DMFT), and LDA+U, we study the physics of these materials. Several methodologicaldevelopments, including the finite-temperature extension of RDMFT and novel exchange-correlation functionals are pursued with the ultimate goal of a parameter-free descriptionof the complete phase diagram of these materials. Of particular interest in this context isthe study of interfaces between strongly correlated oxides and their multiferroic properties.

Electronic charge and spin transport through nanostructured systems. Here we focuson time-dependent aspects of transport, such as the periodic charging and discharging ofquantum dots found in the Coulomb-blockade regime upon ramping up a bias. Anotherfocus is on tunneling magneto-resistance in ferromagnet/insulator/ferromagnet systems andon spin-dependent transport phenomena in two-dimensional systems such as the Rashbaeffect.

Ab initio theory of superconductivity. We predict material-specific properties, suchas the critical temperature, of conventional phonon-driven superconductors. In search ofhigh-temperature superconductors within this class of materials, we look for systematic con-nections between the chemical bonding and the strength/structure of the superconductingorder parameter. Generalizations of the presently available theoretical framework to in-clude spin-driven and polaronic mechanisms are being developed.

Analysis and control of electronic dynamics with ultrashort laser pulses. We studymulti-photon processes such as high-harmonic generation found in the interaction of stronglaser pulses with matter. Apart from the mere description of these phenomena we alsoexplore the inverse problem, i.e. we calculate the specific pulse shape that achieves apredefined goal, for example the enhancement of a single peak (say the 13th harmonic)in the harmonic spectrum. This is achieved by a combination of time-dependent densityfunctional theory with optimal control theory.

Nanostructures on surfaces. The interactions among adatoms on a surface stronglydepend on the specific electronic structure of the surface. Especially in the presence ofa surface state, long-range interactions arise that lead to a number of new quantum phe-nomena such as self-organization processes due to quantum interferences in the surfacestate.

10

Preface Nano-IMPRS

International Max Planck Research School for Science andTechnology of Nanostructures (Nano-IMPRS)

Nano-IMPRS is a joint PhD program of the Martin Luther University Halle-Wittenberg, theFraunhofer Institute for Mechanics of Materials and our Institute. It combines and shares theexpertise of various strong research groups in different fields of science and technology ofnanostructures. It connects competence in nanostructural synthesis and analytics in orderto facilitate the efficient acquisition of basic knowledge in this field. A unique featureof nanoscale science and technology is the interdisciplinarity of methods and proceduresfor the synthesis and characterization of nanometer-sized systems. The participants of theResearch School conduct scientific research on an international level.

Within the Research School, the synthesis and preparation of nanostructures, the char-acterization of their physical and structural properties, and the theoretical description areclosely linked together. Research inside the IMPRS includes the investigation of nanoma-terials for potential applications, fundamental issues with regard to the physical propertiesof systems with reduced size and dimension and the theoretical analysis of the observedphenomena.

Nano-IMPRS is supported by the Max Planck Society with 2.2 Mio EUR for six years,and by the federal state of Saxony-Anhalt with six additional research positions. Granted infall 2004, the financial support for the Research School started in April 2005. The originalterm of six years was extended to nine years. Currently, the Research School has 30 studentmembers from 10 countries. They hold degrees in physics, chemistry, engineering andmaterials sciences.

In addition to their research activities, the PhD students attend a special teaching pro-gram which consists of lectures, a regular seminar, lab rotations, a yearly workshop, andcourses in soft skills.

11

Max Planck Fellow Group - Prof. Mertig Preface

Max Planck Fellow Group - Prof. Mertig

The activities of the Max Planck Fellow Group started in 2007. We do basic researchin the field of solid state theory. We are interested in a material-specific and parameter-free description of nanostructured systems. Our research is based on density functionaltheory formulated in terms of Green’s functions. Green’s functions are very powerful for theconsideration of systems with arbitrary geometry like heterostructures, thin films, surfaces,adatoms on surfaces, or nanocontacts. The numerical effort of our method scales with thenumber of atoms. In this respect we are able to treat nanostructures of realistic size.

Our investigations start from the atomic structure of a system which is either known fromexperiment or can be determined numerically by structural relaxation. The main focus ofour work is the microscopic understanding of the electronic, magnetic, ferroelectric, andtransport properties on the atomic scale.

A substantial part of our research is dedicated to the emerging field of spintronics. Spin-tronics has a large potential for future applications in sensor and information technology inwhich the charge and spin degrees of freedom of the electrons are exploited. A successfulapplication requires achieving control of the materials and processes involved on the atomicscale. To support the experimental developments, to predict new materials, and to opti-mize the effects, first-principles electronic structure calculations based on density functionaltheory are the method of choice.

Our method is applied to gain insight into the microscopic origin of spin-dependenttransport in magnetic heterostructures as well as in metallic and molecular contacts. Thebasic effects of spintronics like giant magnetoresistance (GMR) and tunneling magnetoresis-tance (TMR) have been investigated. Charge and heat to spin current conversion by meansof the spin Hall effect (SHE) and the spin Nernst effect (SNE) as well as magnetoelectriccoupling via multiferroic interfaces are currently focus areas of our research.

Our work is as well related to the Collaborative Research Centre 762: Functionality ofOxide Interfaces. Here we investigate metal-oxide and oxide-oxide interfaces. Their atomicstructure is the key for the resulting electronic and functional properties. We are particu-larly interested in multiferroics. Multiferroic materials simultaneously show ferroelectric andmagnetic order. The observed electric polarization and magnetization and their couplingeffects are usually very small in single-phase multiferroics. A breakthrough in this respectis expected from multiferroic heterostructures. Magnetoelectric coupling via the interfacebetween a ferroelectric and a ferromagnetic layer is expected to be larger because of thereduced dimensionality.

12

Preface Max Planck Fellow Group - Prof. Widdra

Max Planck Fellow Group - Prof. Widdra

The Max Planck Fellow group in the field of experimental surface science started in July2010. The group focuses on the electronic structure of oxide surfaces and nanostructuresas well as of oxide thin films. Particular effort will be directed onto systems for whichelectronic correlations are important and which are beyond the traditional description in aone-electron picture. The long-term goal within the new activities will be the investigationof such systems by laser-based double photoemission spectroscopy in combination withcomplementary techniques as time-resolved two-photon photoemission (2PPE), scanningtunneling spectroscopy (STS), angle-resolved photoemission (ARPES), and electron energyloss spectroscopy (EELS) to advance the understanding of the peculiar electronic propertiesof correlated systems.

One objective of the group is the development of a new high-repetition-rate pulsedlight source for double photoemission coincidence experiments and time-resolved pho-toelectron spectroscopy. This light source is based on higher-harmonics generation from afemtosecond laser operating at MHz repetition rate. It enables highly efficient time-resolvedphotoelectron spectroscopy with a widely tunable photon energy range. Moreover, it is anideal light source for double photoemission coincidence experiments, which are pursuedin close cooperation with the Experimental Department I on different oxide surfaces.

A second objective of the research is dedicated to spectroscopy and understanding ofthe electronic structure of transition metal oxide surfaces and epitaxial thin films. Herethe studies start at model systems like NiO(100) but extend also to more complex, butstructurally still well-prepared oxide thin film systems. The combination of ARPES, EELS,and 2PPE allows for a broad spectroscopic characterization of occupied as well as of unoc-cupied electronic states and their dynamics at femtosecond time scale. The combinationwith STS provides an alternative spectroscopy which directly links with each other localelectronic and atomic structure. These activities are closely related to the CollaborativeResearch Center 762: Functionality of Oxide Interfaces.

13

Preface

14

Selected Results

15

Selected Results

Quantum well state effect on the magnetocrystalline anisotropy of Fe films

M. Dabrowski, M. Pazgan, T. R. F. Peixoto, U. Bauer, A. Winkelmann, and M. Przybylski

in cooperation with

F. Bisio

CNR-SPIN, Genova, Italy

and

T. Nakagawa, Y. Takagi, and Y. Yokoyama

Institute for Molecular Science, Okazaki, Japan

Magnetic anisotropy of ultrathin magneticfilms leads to the observation of “hard” and“easy” magnetization axes. The magnetocrys-

talline anisotropy is related to the crystal struc-ture of a thin film, and it is decisive for themagnetization reversal in external fields or bymeans of spin-polarized currents. A better un-derstanding of the relation between electronicstructure and magnetocrystalline anisotropy iscrucial for the ability of engineering desiredproperties in magnetic structures for improvedtechnological applications. Since the magne-tocrystalline anisotropy energy originates inthe spin-orbit interaction, it can be enhancedby specifically controlling the electronic struc-ture of a thin film near the Fermi level EF.In particular, such electronic modifications cantake place when quantum well states from d-bands are formed in ferromagnetic films [1].For example, oscillatory magnetocrystallineanisotropy as a function of the thickness of aferromagnetic film has been observed in ultra-thin iron (Fe) films [2].

In order to elucidate the origin and the prop-erties of quantum well states in Fe films, pho-toelectron spectroscopy (PES) measurementshave been performed, where photoelectronsare excited by ultraviolet laser light of 6 eVphoton energy. The photoemission intensitymap obtained as a function of thickness of anFe film grown on a Ag(001) surface is shownin Fig. 1. The oscillations of the photoemis-sion intensity with increasing Fe film thicknessconfirm the formation of quantum well statesin the vicinity of the EF. The period of the

photoemission intensity oscillations, which isdetermined by the wavelength of the electronstanding waves, allows to assign the confinedelectronic band to the d-band with a ∆5 spatialsymmetry and majority-spin state character.

-2.0

-1.5

-1.0

-0.5

0.0

0.5

Initia

l sta

te e

nerg

y E

-EF

(eV

)

242220181614121086

Fe thickness (ML)

1086420

Intensity (103counts)

Fig. 1: Thickness- and energy-dependent pho-toemission intensity distribution of Fe/Ag(001) at300 K for s-polarized incident light with energyhν= 6 eV.

The microscopic mechanism responsible forthe oscillatory magnetocrystalline anisotropydue to quantum well states can be under-stood from x-ray magnetic circular dichroism(XMCD) measurements. These allow to de-termine the anisotropy of the orbital magneticmoment as a source of the magnetocrystallineanisotropy [3].

In our case, it is therefore essential to ver-ify how the formation of d-band quantum wellstates influences the orbital magnetic moment.In order to identify even small changes in themagnetocrystalline anisotropy, Fe films weregrown on a stepped Ag(116) surface. Thestepped surface introduces an additional in-

16

Selected Results

Fig. 2: (a) Schematics of XMCD measurement forFe/Ag(116). Left circularly polarized x-ray (helic-ity σ−) is kept collinear with the axis of the ap-plied magnetic field ~H. The schematic view of thedxz and dyz orbitals demonstrates the correspond-ing orientation of the orbital magnetic moments.(b) The in-plane anisotropy of the orbital moment∆morb = m

‖orb− m⊥

orbas a function of thickness of

Fe film grown on Ag(116) obtained from XMCDmeasurements in saturation at 5 K.

plane uniaxial magnetic anisotropy and allowsto determine the period and amplitude of mag-netic anisotropy oscillations [1].

The schematic view of our XMCD experi-ment [4] on Fe/Ag(116) is shown in Fig. 2(a).The out-of-plane dxz and dyz orbitals repre-senting the confined electronic states with ∆5

symmetry are also visualized in Fig. 2(a). Ina first approximation, the dxz and dyz orbitalsdetermine the in-plane orbital magnetic mo-ment components perpendicular to (m⊥

orb) and

parallel to (m‖orb

) the step edges, respectively.The values of m⊥

orband m

‖orb

were obtainedfrom the XMCD data set for three independentincidence angles. The dependence of theanisotropy of the in-plane orbital moment∆morb (i.e., the difference between m

‖orb

andm⊥

orb) on the Fe thickness is shown in Fig. 2(b).

Two maxima in the anisotropy of the or-bital moment can be distinguished at ∼ 8.5

and ∼ 12.5 monolayers (ML), i.e., at nearly thesame thicknesses of Fe at which maxima ofthe PES intensity are observed. This resultshows that the quantization of the dxz, dyz out-of-plane orbitals modulates the anisotropy ofthe in-plane orbital magnetic moment.

The fact that the maxima of the PES inten-sity coincide with the maxima of the ∆morb

confirms the correlation between the densityof states in the vicinity of the Fermi leveland the magnetocrystalline anisotropy. Thecorresponding changes of the magnetocrys-talline anisotropy energy (MAE) due to quan-tum well states can be estimated according toMAE= −α ξ

4µB∆morb [3], where ξ = −54 meV

is the spin-orbit coupling constant for Fe andα = 0.05 is the prefactor related to differencesbetween microscopic and macroscopic probesof the magnetocrystalline anisotropy energy.The two maxima observed in the thickness de-pendence of ∆morb occurring at around 8.5 and12.5 ML (Fig. 2) correspond to MAE of 15.4and 46.1 µeV/atom, respectively.

In summary, our combined photoelectronspectroscopy and x-ray magnetic circulardichroism studies elucidate the microscopicorigin of the oscillatory magnetocrystallineanisotropy in bcc Fe films [1, 2]. We demon-strate that anisotropy oscillations result fromchanges of the in-plane orbital magnetic mo-ments, which in turn are a direct consequenceof the quantization of the dxz, dyz out-of-planeorbitals.

References

[1] M. Przybylski, M. Dabrowski, U. Bauer, M. Cinal,and J. Kirschner, J. Appl. Phys. 111, 07C102(2012).

[2] J. Li, M. Przybylski, F. Yildiz, X. D. Ma, and Y. Z.Wu, Phys. Rev. Lett. 102, 207206 (2009).

[3] G. van der Laan, Journal of Physics: CondensedMatter 10, 3239 (1998).

[4] N. Takeshi, Y. Takagi, Y. Matsumoto andT. Yokoyama, Jpn. J. Appl. Phys. 47, 2132 (2008).

17

Selected Results

Film stress in epitaxial SrTiO3 layers

D. Sander and J. Premper

Film growth in the nanometer thicknessrange has reached an impressive level of per-fection. This is the basis for the reliable pro-duction of omnipresent devices in the areas ofelectronics and data storage. This success offilm growth is truly remarkable, as there aremany obstacles which inhibit the functional-ity of the film. One important aspect is filmstress. If it gets too large, the film developsflaws, and ultimately it ruptures, and conse-quently the film functionality is lost. Thus,quantitive film stress measurements play a piv-otal role for an improved understanding of filmgrowth, and they are presented here.

We developed a new experimental setupto measure film stress during film growth byan optical deflection technique [1] with sub-monolayer sensitivity and high accuracy. Thistechnique exploits the stress-induced curvatureof a 0.1 mm thin single crystal substrate uponfilm deposition. It was originally developed forapplications in metal epitaxy at room temper-ature under ultrahigh vacuum conditions [2].However, lately complex oxides, with vastlydifferent preparation conditions, have attractedconsiderable interest. This is spurred by theirintriguing multifunctionality promise [3].

The growth of these materials is performedby pulsed laser deposition (PLD) under highoxygen partial pressure of 10−4 mbar at an el-evated substrate temperature of 900 K. Theseexperimental conditions deviate sharply fromultra high vacuum conditions of metal epi-taxy. Oxidation processes at the sample holderand thermal drift issues at the elevated sub-strate temperature present harsh experimen-tal conditions. We modified successfully thestress measurement setup to ensure reliablestress measurements during PLD of SrTi03 onPd(001).

SrTi03 is a prototype complex oxide withperovskite structure. Figure 1(a) presents ahard sphere model of its atomic structure. The

Fig. 1: (a) Hard sphere model of the SrTiO3 cubicunit cell. A continuation of the structure leads toan octahedral coordination of each Ti-atom by O-atoms, as sketched at the lower left edge.(b) Sketch of the relative alignment of the TiO2 bot-tom face of the cubic SrTiO3 of (a) on a Pd(001)surface. O-atoms (red) are bonded in on-top po-sitions above Pd(blue). The (1×1) and the c(2×2)surface unit cells are indicated by a solid blue anddashed black line, respectively. They are observedbefore and after SrTiO3 growth on Pd(001) in thediffraction images of Fig. 2.

structural characteristics are Ti-atoms (grey)positioned at the corners of a cube, with O-atoms (red) positioned along the cube edges,half way between them. The Sr-atom (green) islocalized at the cube center. SrTi03 may showa ferroelectric response, which is given by aelectric polarization induced by a shift of theTi4+-ion out of its central position within theO2−-formed octahedral coordination.

In the following we focus on the stress in theSrTi03-films induced by epitaxial growth on aPd(001) surface. The sketch in Fig. 1(b) indi-cates the interfacial orientation between SrTi03

and Pd(001). A structural analysis by surfacex-ray diffraction [4] indicates an on-top bond-

18

Selected Results

Fig. 2: Film stress (red, left scale) and medium en-ergy electron diffraction (MEED) intensity (blue,right scale) during pulsed laser deposition (PLD)growth of SrTi03 on Pd(001) at 900 K at an oxy-gen partial pressure of 10−4 mbar. The lowerpanel shows low energy electron diffraction im-ages (LEED) of the substrate before (left) and afterSrTi03 growth (right). Additional diffraction spotsafter growth identify an epitaxial c(2×2)-film struc-ture.

ing of O-atoms on Pd-atoms, as illustrated inthe sketch. This atomic arrangement induces ac(2×2)-interface structure, and the correspond-ing unit cell is indicated by the dashed blackline.

Figure 2 shows the results of our stress mea-surement during PLD growth of SrTi03 with athickness of five unit cells. The stress curve(red, left scale) indicates an initial positivestress change, before an almost constant neg-ative slope of the stress signal is observedfrom 1 to 5 unit cell film thickness, where thePLD ended. The stress measurements are aug-mented by simultaneous medium energy elec-tron diffraction (MEED) measurements (bluecurve, right scale), which provide a qualitativemeasure for the film roughness. The initial de-position of up to one unit cell leads to a sharpreduction of the intensity, which recovers,showing slight oscillations (blue arrows) with

unit cell periodicity. We conclude that stressand film roughness show a non-monotonouschange during SrTi03 growth, where the thick-ness equivalent of one unit cell (highlighted inorange) shows a deviating behavior from thatof the higher film thickness. The bottom panelof Fig. 2 presents low energy electron diffrac-tion (LEED) images before (left) and and af-ter SrTi03 growth (right). These images revealthe (1×1)-diffraction of the cubic Pd(001) sur-face, and additional diffraction spots indicativeof the c(2×2) film structure, respectively.

The results shown in Fig. 2 indicate thatSrTi03 grows epitaxially on Pd(001), wherea c(2×2) film structure is observed, in agree-ment with the model in Fig. 1(b). This atomicarrangement induces a lattice misfit betweenSrTi03 and Pd(001) of −0.4 %, which is due tothe size mismatch between the respective sur-face unit cells. As a result, SrTi03 grows un-der compressive film stress with a calculatednegative stress change of −2.65 N/m in a fiveunit cell thick film, in quantitative agreementwith the experimental value of −2.7 N/m. Thisidentifies lattice misfit as the dominant sourceof lattice stress in this case, where the filmmaintains its integrity and epitaxial order atleast to a thickness of five unit cells.

The initial stress and MEED response upto one unit cell suggests an interface forma-tion which is more complicated than the modelshown in Fig. 1(b). Further studies are cur-rently under way to elucidate the structuraldetails of the SrTi03-Pd interface formation,where additional interfacial oxygen might playa crucial role [4].

References

[1] J. Premper, D. Sander, and J. Kirschner, Rev. Sci.Instrum. 83, 073904 (2012).

[2] D. Sander, Rep. Prog. Phys. 62, 809 (1999).

[3] P. Zubko, St. Gariglio, M. Gabay, Ph. Ghosez,and J. M. Triscone, Annu. Rev. Condens. MatterPhys. 2, 141 (2011).

[4] H. Meyerheim, A. Ernst, K. Mohseni et al., Phys.Rev. Lett. 111, 105501 (2013).

19

Selected Results

Exploring highly correlated materials via electron pair emission

L. Behnke, C. H. Li, and F. O. Schumann

Electron pairs can be emitted from a surfacevia primary electron impact or photon absorp-tion. We call these processes (e,2e) and doublephotoemission (DPE), respectively. The exis-tence of pair intensity requires a finite electron-electron interaction. This raises the questionwhether it is possible that the actual pair inten-sity provides information about the interactionstrength. This aspect was pursued in a theoret-ical DPE study [1]. The focus was a modelsystem described by the Hubbard Hamilto-nian. Within this picture the electron correla-tion strength is given by the Hubbard param-eter U and the DPE intensity scales approxi-mately with U2. It is expected that a similardependence on U also holds for the (e,2e) pro-cess.

Experimentally it is not possible to tune thecorrelation strength of matter. Therefore, it isnecessary to identify materials which may bedescribed by different values of the parameterU. A successful theory which correctly pre-dicts the properties of many materials is theLocal Density Approximation (LDA). Amongthe materials which are well described by LDAare transition metals. The same theory appliedto transition metal oxides like NiO or CoO pre-dicts metallic character while experimentallyinsulating behavior is observed. This short-coming is a consequence that the treatment ofelectron correlation within LDA is not suffi-ciently accurate for NiO and CoO. The needto describe the electron correlation beyond theLDA scheme for NiO and CoO qualifies thesematerials as “highly correlated”. In this sensewe may regard transition metals as exampleswhere U ≈ 0, while for NiO U is in the rangeof 6 - 8 eV.

Due to the fact that NiO films of high qualitycan be prepared via growth on a Ag(100) sur-face we compared the (e,2e) intensities of thesubstrate to that of the film [2, 3]. The coin-cidence experiments were performed with the

Fig. 1: Schematic view of the coincidence spec-trometer comprising of two hemispherical analyz-ers.

apparatus schematically shown in Fig. 1.

A general problem in pair emission exper-iments is that the detected pair can originatefrom the impact of one primary electron orfrom two primary electrons. In the first caseone speaks of a true coincidence while the sec-ond case is referred to as random coincidence.The measured intensity has both contributions,hence it is important to identify the respectiveintensity levels. In the energy dispersive set-up shown in Fig. 1 a separation is possible bythe following considerations. In the case of atrue coincidence both electrons leave the sam-ple at the same time. They will arrive at the re-spective detectors at the same time within thetime resolution of the coincidence spectrome-ter. In other words the arrival time difference∆t will be centered at zero. For random coin-cidences the arrival time difference will haveno preferred value, because there is no time re-lation between the two primary electrons.

With this in mind we present in Fig. 2the ∆t histogram for 15 ML NiO/Ag(100)and the Ag(100) surface. The data acquisi-tion time and the primary electron flux werekept constant. The primary energy was set toEp = 30 eV. It is obvious that both intensitydistributions display a peak centered at ∆t ≈ 0.

20

Selected Results

80x103

60

40

20

0

in

t. (

cou

nts

)

-60 -40 -20 0 20 40 60

Dt (ns)

15 ML NiO

Ag

Fig. 2: Arrival time difference spectrum obtainedfrom a Ag(100) surface and a 15 ML NiO/Ag(100)film. The primary energy is Ep = 30 eV. The dataacquisition time and the primary flux was constant.

The width of the peaks is in both instancesapproximately 10 ns which reflects the timeresolution of the experiment. The intensitylevel outside the peak region shows the level ofrandom coincidences also present in the peakregion. The height of the peak above the con-stant background level is a measure of the truecoincidences. We find a factor of 8 enhance-ment for NiO compared to Ag.

We have verified by means of a wide an-gle spectrometer that the observation of anenhanced coincidence intensity for NiO com-pared to metals is a genuine effect and notcaused by the finite angular acceptance of theinstrument shown in Fig. 1. Additionally, weinvestigated the primary energy dependence ofthe pair intensity for different metals and theiroxide phases. The result is summarized inFig. 3. We first focus on the intensities for NiOand Ni.

For Ep values in the range 18-28 eV thepair emission for NiO is an order of magni-tude more intense than for Ni. This agreeswith the findings displayed in Fig. 2 wherethe pair emission from NiO and Ag(100) iscompared. We emphasize that post-oxidizingthe Ni metal film does not increase the pairemission significantly. The next question iswhether an increased coincidence rate is alsoobservable for other oxides. Therefore we pre-

10-5

2

4

6

810

-4

2

4

6

810

-3

pa

irs

per

in

cid

ent

elec

tro

n

3028262422201816

Ep (eV)

NiO Ni oxide metal

Fig. 3: Coincidence intensity measured as electronpair per incoming primary electron. Full circlesand squares are the result for NiO and Ni, respec-tively. The result for Fe, Cr and V metals and theiroxides phase have been grouped together and arelabeled with open squares and open circles. Theyindicate the average value while the error bars referto the variance.

pared Fe, V and Cr metal films and their oxidesphases. The (e,2e) intensities for those materi-als were recorded at Ep = 22 eV. The positionof the open circle is the average intensity forthe Fe, Cr and V oxide films, the error bar in-dicates the variation for the different materi-als. In the same manner we have grouped themetal films together which are represented bythe open square.

We conclude that transition metal oxidesdisplay an enhanced coincidence count ratecompared to metals. This suggests that pairemission intensity allows the determination ofthe correlation strength.

References

[1] B. D. Napitu and J. Berakdar, Phys. Rev. B 81,195108 (2010).

[2] F. O. Schumann, L. Behnke, C. H. Li, J.Kirschner, Y. Pavlyukh, and J. Berakdar, Phys.Rev. B 86, 035131 (2012).

[3] F. O. Schumann, L. Behnke, C. H. Li, and J.Kirschner, J. Phys.: Condens. Matter 25, 094002(2013).

21

Selected Results

Modification of structure and magnetic properties in O/Fe(001)-p(1×1)

induced by mesoscopic misfit

H. L. Meyerheim, W. Feng, K. Mohseni, O. Brovko, and V. S. Stepanyuk

in cooperation with

N. Jedrecy

Institut des Nano Sciences de Paris, UPMC-Sorbonne Universites, Paris, France

and

R. Felici

ESRF, Grenoble, France

The fascinating properties of nanoscale ma-terials stem from their unique structural prop-erty, namely the presence of a large fractionof low coordinated atoms and the tendency tosmooth the charge density at atomic steps ofan island. Only a few quantitative studies havebeen published providing evidence for the fi-nite size driven rearrangement in nanoscalesystems [1, 2]. The atomic rearrangement,which is commonly referred to as “mesoscopicmisfit” (MM) which has been theoreticallypredicted a decade ago [3], has also wide im-plications on the physical and chemical prop-erties of nanoscale adsorbate systems. Usingthe surfactant adsorption system Fe/O/Fe(001)as a prototype example our study providesclear evidence of the MM driven modifica-tion of the adsorbate geometry and its puz-zling magnetic properties, such as the oscilla-tory surface magnetic moment versus Fe cov-erage observed earlier [5].

Figure 1 shows an 8.0×3.6 nm2 constant cur-rent STM image of two Fe islands (U = -0.2 V,I = 100 pA) of about 4 nm (left) and 1.5 nm(right) in diameter. Distinct differences ex-ist between the flat O/Fe(001)-p(1×1) structurecharacterized by the regular protrusions andthat at the rim of the large nanoisland. The lat-ter is related to the increased STM contrast andthe lack of atomic resolution. If the island di-ameter becomes smaller than 2-3 nm the islandis characterized by the “rim state” as can beseen for the small island on the right. The insetshows the profile along the white line starting

0.0

0.5

1.0

1.5

2.0

0 10 20 30 40 50 60 70Å

Fig. 1: Constant current (U = -0.2 V sample bias,I = 100 pA) STM image (8×3.6 nm2) showingtwo differently sized Fe nanoislands deposited onO/Fe(001)-p(1×1). The profile along the line isshown in the inset.

from the lower terrace running across the smalland the large island. We find a height differ-ence of approximately 2 Å between the lowerterrace and the island rims and a height differ-ence of 0.75 Å between the island rim and theisland center. There is also a height differenceof ≈2 Å between the level of the terrace andthe small island indicating a close resemblancebetween the small island and rim structure.

Surface x-ray diffraction (SXRD) exper-iments give quantitative evidence for sub-stantial MM driven modifications of theO/Fe(001)-p(1×1) structure. Based on the in-tensity distribution along the crystal truncationrods (see Ref. [4]) we have developed thestructure model outlined in Fig. 2. On theterrace, oxygen atoms (Ot) are located in hol-low sites at a height of 0.42±0.10 Å abovethe level of Fe atoms labelled by Fet. Inparallel, the first Fe-Fe interlayer spacing be-

22

Selected Results

tween Fet and unrelaxed Fe bulk like atoms(Feb) equals to 1.62±0.02 Å. In the island(rim) structure the island atoms labelled Fer re-side only 1.43±0.03 Å above Fet, while oxy-gen atoms Or are located at a large height of0.69±0.10 Å above Fer.

rim/islandterrace

0.42

0.69

1.62

1.43

1.43

1.62

1.43

Or

Fet

Feb

Ot

Fer

[100]

[001]

Fig. 2: (a) Model for 0.5 ML of Fe on O/Fe(001)-p(1×1) showing the terrace (left) and the island(right) structure. Small (red) and large (grey) cir-cles correspond to oxygen and Fe atoms, respec-tively. Distances are given in Ångstrom.

We conclude that the “rim state” by STMas a bright contrast (Fig. 1) is primarily re-lated to the adsorption geometry of the oxy-gen and Fe island/rim atoms, since the heightdifference between the terrace and the islandwhich is in the 2 Å range approximately corre-sponds to the SXRD derived height differenceof 2.1 Å between the level of Fet and Or.

The results are supported by ab initio den-sity functional theory calculations. The Fenanoisland is approximated by a 1 nm widestripe along [100] as shown in Fig. 3. Themodel corresponds to the large island shownin Fig. 1 with a terrace like structure withatoms Ot and Fet in the island center and therim structure with atoms Or and Fer. Verti-cal spacings between oxygen and Fe atoms arevery close to experiment. The calculated mag-netic moments (m) allow to interpret the os-cillatory behavior of the surface magnetic mo-ment measured by second harmonic genera-tion experiments [5] upon deposition of Fe. Atfull coverage corresponding to the formationof the O/Fe(001)-p(1×1) terrace, m is large(m = 3.21 µB) for atoms Fet on the terrace,respectively. By contrast, at half layer cover-age, the fraction of island atoms (Fer) is at a

Fig. 3: Calculated geometry of a Fe nanoislandconsisting of a terrace structure in the center (t) andthe rim (r) structure similar to that shown in Fig. 1.Calculated magnetic moments for atoms Fet andFer are indicated. Note, the largely different lengthscales along the x- and h direction.

maximum. For Fer the magnetic moment issmaller (m = 2.85 µB) due to the reduced in-terlayer spacing (1.43 Å). Therefore, with in-creasing Fe coverage an oscillatory behavior ofthe surface magnetic moment can be expected.

In summary, our study shows the impor-tance of mesoscopic misfit induced modifi-cations for the O/Fe(001) adsorption geome-try affecting the magnetic moments of the Featoms. Our results are of importance for under-standing adsorption systems at the nanoscalein general.

References

[1] O. Mironets, H. L. Meyerheim, C. Tusche, V. S.Stepanyuk, E. Soyka, P. Zschack, H. Hong, N.Jeutter, R. Felici, and J. Kirschner, Phys. Rev.Lett. 100, 096103 (2008).

[2] H. L. Meyerheim, E. D. Crozier, R. A. Gordon,Q. F. Xiao, K. Mohseni, N. N. Negulaev, V. S.Stepanyuk, and J. Kirschner, Phys. Rev. B 85,125405 (2012).

[3] V. S. Stepanyuk, D. I. Bazhanov, A. N. Baranov,W. Hergert, P. H. Dederichs, and J. Kirschner,Phys. Rev. B 62, 15398 (2000).

[4] W. Feng, H.L. Meyerheim, K. Mohseni et al.,Phys. Rev. Lett. 110, 235503 (2013).

[5] M. Nyvlt, F. Bisio, J. Franta, C. L. Gao, H. Pe-tek, and J. Kirschner, Phys. Rev. Lett. 95, 127201(2005).

23

Selected Results

Controlling magnetic anisotropy via the interface exchange coupling

P. Kuswik, P. L. Gastelois, and M. Przybylski

in cooperation with

H. C. N. Tolentino, M. De Santis, A. D. Lamirand (Institut Neel, Grenoble, France),

M. M. Soares (ESRF, Grenoble, France)

Perpendicular magnetization is required,in particular, for giant magneto-resistance(GMR) and/or tunnelling magneto-resistance(TMR) based devices for magnetic record-ing and magnetic random access memory(MRAM). Magnetization of one of the fer-romagnetic (FM) layers in such devices usu-ally is pinned to the antiferromagnetic (AFM)underlayer, whereas the second one can befreely magnetized in two opposite directions(resulting in different resistivity, depending onwhether the magnetizations of both FM lay-ers are oriented parallel or antiparallel). Thepinning is realized by employing the exchangebias effect, which is due to the coupling be-tween FM and AFM spins at the interfaces.

Our idea is to exploit the FM/AFM cou-pling, not only to pin the magnetization butalso to enhance perpendicular anisotropy ofthe FM layer.

The exchange bias effect in FM/AFM inter-faces has attracted much interest for decades,however, the microscopic mechanism respon-sible for this phenomenon has not yet beenfully understood. The reason lies in the dif-ficulty to detect directly (and locally) the AFMspin configuration. The existing models ex-plain the exchange bias effect for systemswith an uncompensated AFM surface (i.e., allspins are oriented in the same direction) andwith collinear (i.e., parallel or antiparallel)FM/AFM exchange coupling at the interface.However, theoretical calculations for compen-sated interfaces (i.e., neighboring spins of theinterfacial AFM plane are oriented antiparal-lel) show that the AFM and FM spins may becoupled perpendicularly and that they gener-ate an effective uniaxial anisotropy. An in-plane spin reorientation transition, driven by

perpendicular coupling, has been theoreticallypredicted for temperatures close to the order-ing (Neel) temperature (TN) of the AFM layerand has been observed experimentally, for in-stance for Fe/NiO bilayers grown on Ag(001)-stepped surface [1].

Here our goal is to verify whether per-pendicular FM/AFM coupling is possible ina plane perpendicular to the sample plane.Then the axis of the uniaxial coupling-drivenanisotropy should be oriented perpendicularto the sample plane. This could result in aperpendicular easy magnetization axis for FMfilms that otherwise, without such a coupling,would be magnetized in the sample plane. ForFM films with initial perpendicular easy axisthe effect would be an increase of thickness upto which perpendicular magnetization is sus-tained.

X-ray magnetic linear dichroism (XMLD)experiments show that Co spins are oriented inthe film plane if CoO is epitaxially grown onAg(001). The same holds for CoO on Pd(001)because the lattice constant of Pd(001) is sim-ilar to Ag(001). This is due to the compres-sive strain on the film exerted by the substrate.Therefore it would be interesting to examinethe coupling between the AFM-CoO film andthe FM film (e.g., Ni) expecting the magne-tization to be relatively easy reoriented fromin-plane to perpendicular to the sample plane.

For this purpose we have grown a23 monolayer (ML) Ni film on a Pd(001)substrate. This thickness is well above thevalue at which magnetization rotates fromperpendicular towards in-plane at room tem-perature (dSRT ≈17 ML). On top of it, 3 MLof CoO were grown showing (100) crystal-lographic orientation. Magnetic properties

24

Selected Results

-2000 -1000 0 1000 2000

-300

-200

-100

0

100

200

300

5K 300K

Kerr

ellip

ticity

[ra

d]

Magnetic field [Oe]

Fig. 1: Polar hysteresis loops measured at 5 K and300 K for 23 ML of Ni grown on Pd(001) after cov-ering with 3 ML of CoO(001). The rectangularloop and the increased signal in remanence corre-spond to perpendicular anisotropy of Ni at 5 K af-ter covering with CoO, whereas the large coerciv-ity and the measurable shift of the loop along thefield axis are due to the exchange coupling betweenAFM-CoO and FM-Ni.

were probed by magneto-optical Kerr effectmeasured in external magnetic field appliedperpendicular to the sample plane.

After covering with CoO, easy-axis rectan-gular loops are measured at 5 K. This is ob-served not only for the 23 ML thick Ni film(Fig. 1), but also for much thicker films - up to30 ML. In these cases the signal in remanencecorresponds to the value expected for a perpen-dicularly magnetized Ni film of same thick-ness (which means that the oxidation of theNi surface by the growing CoO is negligible).With increasing temperature, the easy magne-tization axis rotates towards the film plane andhard-axis loops are measured at room temper-ature (Fig. 1). The easy magnetization axisreorients around 270 K, which coincides withTN expected for the thin CoO film. Thus,there is a clear correspondence between the an-tiferromagnetism of CoO and the orientationof the easy magnetization axis of Ni (Fig. 2).This confirms that the enlarged perpendicularanisotropy is due to the coupling between theFM-Ni and AFM-CoO [2].

Exactly the same observation was madefor the reversed structure, i.e., for Ni filmgrown on top of 3 ML of CoO on Pd(001).

0 100 200 30050

100

150

200

250

300

Pol

ar K

err e

lliptic

ityin

rem

anen

ce [

rad]

Temperature [K]

tNi=23 ML

Fig. 2: Polar Kerr ellipticity (proportional to mag-netization) in remanence plotted vs temperature for23 ML thick Ni film covered with 3 ML of CoO.The signal starts to decrease rapidly above 270 Kas a result of easy magnetization axis rotating to-wards the sample plane.

Loops evolving from symmetric hard-axisshape above TN to rectangular easy-axis shape(clearly shifted along the field axis) below TN

of CoO were measured.Moreover, we proved by XMLD that the

AFM spins of the CoO film grown onNi/Pd(001) are oriented in the sample plane,whereas the easy magnetization axis of Ni isperpendicular to the sample plane. This clearlyconfirms that the coupling is perpendicular.

From the application point of view, it isimportant to explore the effect at room tem-perature. This can be achieved by replacingCoO with NiO which exhibits TN clearly aboveroom temperature even for thin films.

In summary, we have shown how theFM/AFM spin coupling can be employed notonly to pin the magnetization of one of theelectrodes of GMR/TMR junctions, but also tosupport magnetocrystalline anisotropy to ori-ent the easy magnetization axis perpendicularto the film plane.

References

[1] J. Li, M. Przybylski, F. Yildiz, X. L. Fu, and Y. Z.Wu, Phys. Rev. B 83, 094436 (2011).

[2] P. Kuswik, P. L. Gastelois, M. Przybylski, and J.Kirschner, submitted to Phys. Rev. B (2013).

25

Selected Results

Nucleation-induced self-assembly of epitaxial multiferroic

BiFeO3-CoFe2O4 nanocomposites

S. M. Stratulat, X. Lu, A. Morelli, W. Erfurth, D. Hesse, and M. Alexe

Magnetoelectric materials represent a dy-namic research topic, motivated by both po-tential applications and the requirement to un-derstand acting driving mechanisms [1, 2].Large interest has been concentrated on thedesign of ferroelectric/magnetic heterostruc-tures, or nanostructured multiphase multifer-roics, which have significant potential for thedevelopment of multifunctional devices [3].Special focus has been set on the growth andcharacterization of vertical multiferroic het-erostructures, where nanopillars of one mate-rial are embedded in the matrix of the other[4]. This specific type of connectivity betweenthe two phases of the composite material, de-nominated as 1-3 connectivity, holds the ad-vantage of rather low substrate clamping andhigh contact area between the components. Atthe same time, three-dimensional epitaxy facil-itates the study of effects at the interface, suchas charge mediated or spin mediated couplingmechanisms.

Until now, the high degree of randomnessof both position and dimension of the pillars inthe matrix - being a result of the used simpleself-assembly processes - has been, however, adrawback with respect to magnetoelectric cou-pling strength and to potential devices [4]. Wehave therefore developed a method to obtainperfectly ordered epitaxial magnetic CoFe2O4

(CFO) nanopillars embedded in a ferroelectricBiFeO3 (BFO) matrix, with minimal variationof the characteristic sizes of the features, andon large substrate area [5].

The process is based on patterning the nu-cleation points of the CFO pillars through ahard mask. As hard mask we have used, on onehand, anodic aluminum oxide (AAO) mem-branes which became popular as a patterningtechnique [6, 7, 8] due to the obvious advan-tage of being the result of a self-assembly pro-cess themselves. On the other hand we have

used gold masks patterned by e-beam lithogra-phy to tune the symmetry and the pitch sizeof the nano-composite [5]. The outline ofthe nucleation-induced self-assembly processis depicted in Figure 1.

Fig. 1: Steps of the nucleation-induced process: (a)Mask transfer on the substrate. (b) Deposition ofCFO through the mask. (c) Formation of nucleationcenters by removal of the hard mask. (d) Deposi-tion of the ordered multiferroic composite from amixed target. (e,f) SEM images of CFO nucleationcenters with hexagonal symmetry (e) and final re-sult of the CFO-BFO composite (f).

SrRuO3-buffered SrTiO3 (001) single crys-tals were used as substrates. In the first stage,the hard mask used to induce the nuclei istransferred onto the substrate. The nuclei areobtained by deposition, at relatively high tem-perature, of the pillar material (CFO in thepresent case) through the mask. After re-moval of the hard mask, the self-assembly pro-cess is continued by usual deposition of thesystem BFO-CFO from a mixed target. Thesingle crystal pillars nucleate at the predeter-mined sites, yielding arrays of perfectly or-dered CFO pillars in the ferroelectric BFO ma-trix. To prove the concept and establish theself-assembly parameters, initially gold masksof about 50 nm in thickness patterned by e-

26

Selected Results

beam lithography were used. In a later stage,AAO membranes fabricated using a previouslydescribed process [6] have been transferred onthe substrate and used as masks.

CFO nuclei were produced by pulsed laserdeposition (PLD) on the substrates with mask.The masks were then removed through wetetching processes and the CFO nuclei arefound in the expected arrangement (Fig. 1(e)).The final composite was obtained by PLD ofBFO-CFO from a mixed target exactly as forthe usual self-assembly process. The result ofthis nucleation-induced self-assembly processis shown in Figures 1(f) and 2. As expected,the pitch of the nuclei plays a significant role.For both square and hexagonal symmetries, thebest results are obtained for the smaller pitch(200 nm). For details, see [5].

Fig. 2: (a) TEM image and (b) 52◦ tilted SEM im-age, both evidencing the pyramidal shape of theCFO nanopillars protruding out of the BFO matrix.(c) Selected area electron diffraction pattern corre-sponding to the TEM image in (a), evidencing thecube-on-cube epitaxy of all involved materials. (d)AFM phase image showing the perfect phase seg-regation of the BFO-CFO composite.

Ferroelectric and magnetic properties of thesamples were locally analyzed by piezore-sponse force microscopy (PFM) and magneticforce microscopy (MFM), respectively. Theout-of-plane PFM phase scan for an area of1×1 µm2 is presented in Figure 3(a). Fromthe amplitude scan image (not shown) it canbe seen that the piezoelectric response comessolely from the BFO matrix and is mostly ho-mogenous. Local PFM spectroscopy investi-gations reveal very good ferroelectric proper-

ties (coercive field 130 kV/cm; piezoelectriccoefficient of ∼30 pm/V). Figure 3(b) showsthe MFM phase response that reveals magneticactivity at the site of the pillars.

Fig. 3: Out-of-phase PFM image (a) and MFM im-age (b) of the sample from Figure 2. In the MFMimage, the superposed contours of the pillars weretaken from the AFM amplitude image. For thescale, see Figure 2.

The magnetoelectric coupling was testedvia magneto-capacitance (MC) measurementswhich indeed demonstrated a coupling be-tween the magnetic and ferroelectric order pa-rameters. The MC data resemble a quadraticmagnetoelectric effect at low magnetic fields,two almost linear regions at intermediate fieldsand some faint steps at finite magnetic fields[5]. The magnetoelectric coefficients cal-culated from the two linear regions are 0.6and 0.9 µC/cm·Oe, respectively. This novelnucleation-induced large-area self-assemblyprocess could be relevant for most systemsbased on phase separation, since nucleationand growth are a rather general feature of thesesystems.

References

[1] J. F. Scott, J. Mater. Chem. 22, 4567 (2012).

[2] A. P. Pyatakov and A. K. Zvezdin, Physics-Uspekhi 55, 557 (2012).

[3] L. W. Martin and R. Ramesh, Acta Mater. 60,2449 (2012).

[4] H. Zheng et al., Adv. Mater. 18, 2747 (2006).

[5] S. M. Stratulat et al., Nano Letters 13, 3884(2013).

[6] W. Lee et al., Nature Mat. 5, 741 (2006).

[7] X. S. Gao et al., ACS Nano 4, 1099 (2010).

[8] X. L. Lu et al., Nano Letters 11, 3202 (2011).

27

Selected Results

Investigation of recombination-active grain boundaries by high resolution

lock-in thermography and light beam induced current measurements

S. Rißland and O. Breitenstein

in cooperation with

G. Micard, A. Zuschlag, S. Seren, B. Terheiden, and G. Hahn

University of Konstanz, Konstanz, Germany

Recombination-active grain boundaries(GBs) in multicrystalline (mc) solar cells areone of the main origins of locally decreasedminority carrier lifetimes. Thus an increasedlocal diffusion current density can be expectedthere. In order to estimate the influence ofsuch crystal defects on the device perfor-mance, a measurement of the recombinationactivity at grain boundaries is necessary.

Dark lock-in thermography (DLIT) providesa direct measurement of the locally dissipatedpower and thus the local current density [1].To overcome the limited spatial resolutioncaused by thermal blurring, a 2-dimensionalFourier-based algorithm [1] has to be appliedto the in-phase and out-of-phase DLIT images(Fig. 1(a) and (b)). The deconvoluted powerdensity distribution has an enhanced spatial

-0.12 0.12mK

S0°

(600 mV) S-90°

(600 mV)

0.0 0.5mK

-0.05 0.2A/cm2

jtotal (600 mV) IQE (980 nm)

0.1 1.0

(a) (b)

(c) (d)

Fig. 1: (a) In-phase and (b) out-of-phase DLIT im-age at 600 mV, (c) deconvoluted current densityevaluated from (a) and (b), and (d) internal quan-tum efficiency from LBIC measurements.

resolution of about 160 µm and thus enablesa direct correlation of the current density tothe GBs (Fig. 1(c)). It is obvious that allrecombination-active grain boundaries, whichshow an increased current density, are alsocharacterized by a decreased internal quantumefficiency measured by light beam inducedcurrent (LBIC).

The recombination rate of the charge carri-ers at the GB can be described by a surfacerecombination velocity vs. The correlating dif-fusion current per length Jline

01 is described bya model of Lax [2] and is adopted to evalu-ate vs. The corresponding implicit expressionfor Jline

01 (vs, Ldiff) given by Lax [2] can only beinverted by assuming large surface recombina-tion velocities (2Dn/(vsLdiff) ≪ 1) [3]. In orderto widen the validity limits of the evaluation,an empirically found correction factor was in-troduced [4] and results in:

vs =jback01 NA

qn2i

· e ·[

exp(

Jline01 πNA

2Dnqn2i

)

− 1]

with doping level NA, elementary charge q,Euler’s number e, intrinsic carrier density ni,and minority carrier diffusion constant Dn.

We apply this approach to a 2×2 cm2 sizedsilicon solar cell shown in Fig. 1. The deviceis manufactured by a laboratory-scaled processfrom multicrystalline float zone material thatguaranties a limited influence of metallic im-purities. Jline

01 (in units of A/cm) and the cur-rent density within the adjacent grains jback

01(in units of A/cm2) are measured by means oflinescans perpendicular to the grain boundary(see Fig. 2). For this purpose it is assumed thatthe main contribution of the total current den-sity at 600 mV is the diffusion current density

28

Selected Results

0 500 1000 1500 2000 2500

0.00

0.05

0.10

0.15

j back01

J line01

Tot

al c

urre

nt d

ensi

ty (6

00 m

V) [

A/c

m2 ]

position [µm]

Average Linescans Fit Linescan 1 Linescan 2 Linescan 3 Linescan 4 Linescan 5 Linescan 6 Linescan 7

Fitting range

Fig. 2: Fitting of total dark current density line-scans in the region marked in Fig. 1.

characterized by j01. The required distributionof the local voltage was obtained from electro-luminescence imaging (not shown here). Thecalculated vs is given in Table 1.

A comparison of this result with a methodbased on LBIC measurements [5] shows thatthe value obtained there is about a factor 10lower than measured by DLIT (see Tab. 1).LBIC generates the charge carriers by illumi-nating the sample by lasers, which have a pe-netration depth in silicon of 15 and 37 µm. Forthis reason it is mainly sensitive for the prop-erties of the bulk and gives a direct measureof the diffusion length Ldiff within the adjacentgrains, with negligible influence of recombina-tion in the emitter or at the rear side of the so-lar cell. Hence the obtained data give a reliablevalue for describing the diffusion processes to-wards the GB in the bulk. In contrast to that,DLIT measures the power dissipation withinthe whole device and thus is also sensitive torecombination outside of the bulk. For thatreason jback

01 corresponds to an effective diffu-sion length Leff, which is slightly lower thanLdiff due to additional recombination paths.

Tab. 1: Recombination parameters of the GB ob-tained from DLIT and LBIC measurements.

DLIT LBICLeff or Ldiff [mm] 0.9 . . .1.4 1 . . .3vs [cm/s] 1.8 . . .2.0 × 105 2 × 104

Jline01 [fA/cm] 158 . . .174 96 . . .129

Applying the data, which are obtained fromfitting the shape of LBIC contrast profiles ac-cording to [5], to the model of Lax [2] re-sults in a value of Jline

01 , which is only a fac-tor of 1.4 lower than measured by DLIT (seeTab. 1). Since LBIC is sensitive to recombi-nation within the bulk while DLIT measuresall recombination, this deviation indicates thatthere are additional recombination paths be-yond the bulk, which are caused by the GB.They might take place within the depletion re-gion [6] or at the surfaces [7] of the solar cell,as former studies indicate.

Such recombination paths are not imple-mented in the models underlying the DLITevaluation or the LBIC method until now. Bothmodels assume a vertical grain boundary inan infinitely thick solar cell with negligiblerecombination in the depletion region, at thebackside, and in the emitter. Thus the obtainedvs is realistic, if recombination outside of thebulk region is insignificant, which is obviouslynot the case. Nevertheless, the LBIC proce-dure complies with these assumptions due toits sensibility for the bulk properties quite welland may give meaningful values of vs to de-scribe the recombination at the GB within thebulk region. However, the DLIT measurementindicates that the influence of a GB on the solarcell performance cannot be characterized onlyby this surface recombination velocity.

References

[1] O. Breitenstein, W. Warta, and M. Langenkamp,Lock-in Thermography, 2nd ed., Springer Seriesin Advanced Microelectronics. Berlin: Springer,2010.

[2] M. Lax, J. Appl. Phys. 49, 2796 (1978).

[3] S. Rißland and O. Breitenstein, Sol. Energ. Mat.Sol. Cell. 104, 121 (2012).

[4] S. Rißland and O. Breitenstein, Energ. Proc. 38,161 (2013).

[5] G. Micard, G. Hahn, A. Zuschlag, S. Seren, andB. Terheiden, J. Appl. Phys. 108, 034516 (2010).

[6] S. A. Edmiston, G. Heidser, A. B. Sproul, andM. A. Green, J. Appl. Phys. 80, 6783 (1996).

[7] S. Rißland, T. M. Pletzer, H. Windgassen, and O.Breitenstein, IEEE J. Photov. 3, 1192 (2013).

29

Selected Results

Influence of sample thickness and probe size on the Z-contrast of

SRO/PCMO superlattices

R. Hillebrand, E. Pippel, I. Vrejoiu, and D. Hesse

Perovskite structures show a broad spec-trum of interesting and useful physicalproperties, like (anti)ferromagnetism,(anti)ferroelectricity and multiferroicity[1]. Here, we study multilayer structures ofSrRuO3/Pr0.7Ca0.3MnO3 (SRO/PCMO). Thestructures are imaged in a TITAN 80-300 FEImicroscope with a cs-corrected probe. Weconcentrate on a methodical improvement ofthe interpretation of related HAADF-STEMimages. Usually it is assumed (see, e.g., [2])that the intensity of each atomic column isdirectly proportional to its averaged Z-value,and that it does not explicitely depend on thespecimen thickness. We will focus on thetrue influence of the sample thickness and theeffect of the electron probe size.

Our quantitative interpretation of the ex-perimental micrographs is based on HAADF-STEM image simulations. For the crystalmodeling and the simulation of the imagesthe software packages CrystalMaker © andSTEM-WinHREMTM [3] are used. We ap-ply Weikenmeier-Kohl scattering factors. Ac-cording to the experimental conditions, all cal-culations are performed for V=300 kV and∆=cs=0. The direct matching of experimen-tal images and simulated HAADF-STEM pat-terns is carried out by a quantitative compar-ison of intensity profiles across the interface.This methodology is derived and applied in[4], where we also quantify the experimentalimage noise to be smaller than 5%.

Figure 1 shows an experimental image of aPCMO/SRO interface. The intensity profilestaken along the light-blue lines are presentedin Fig. 2(a). The simulated intensity curves(Fig. 2(b)) of PCMO and SRO reveal the the-oretical behaviour for increasing crystal thick-ness. The four experimental 8-bit intensitiesof the atomic columns in Fig. 1 are dividedby the simulated intensities, varying the crys-

Fig. 1: HAADF-STEM image of a PCMO-on-SROinterface with simulated patterns as insets. Intensi-ties along blue lines are analyzed in Fig. 2.

tal thickness (details in [5]). The overall sam-ple thickness may be identified by minimizingthe standard deviation σ of the four fractionsIexp/sim(Pr, Mn, Ru, Sr).

Fig. 2: Experimental 8-bit values (a) and simulatedintensities I(t) (b). Top: PCMO (Pr, Ca, Mn), bot-tom: SRO (Ru, Sr).

The direct comparison of the correspondingexperimental and simulated peak intensities ofFig. 2 provided a specimen thickness around17 nm. As Fig. 3 shows, this value is ro-bust with respect to the illumination angles αap.Figures 2 and 3 clearly reveal that there is athickness dependence of the Z-contrast.

Figure 4 shows part of a SRO-PCMO in-terface model with linear composition stepsof 25% in horizontal direction. We stud-

30

Selected Results

Fig. 3: Determination of SRO/PCMO samplethickness (σmin) by analyzing the peak fractionsIexp/sim(Pr, Mn, Ru, Sr).

ied the relation between varying atomiccolumns and the Z-contrast for increasingcrystal thickness and variable electron probesize. The physically relevant intermixing inthe RuZ=44/MnZ=25 sub-lattice is presented inFigs. 5 and 6. The evaluated area is markedby a yellow frame with an arrow showing thescanning direction.

Fig. 4: Part of a SRO-PCMO interface model withlinear composition steps of 25% (1 of 4 atoms).

Fig. 5: Peak profiles at an SRO-PCMO interface(Ru/Mn sub-lattice) - thickness series (probe size:0.12 nm). Note the increasing background!

Figures 5 and 6 show intensity profilestaken from simulated HAADF-STEM images.Atomic columns follow the scheme: Ru-Ru.75Mn.25-Ru.5Mn.5-Ru.25Mn.75-Mn (fromleft to right), which means ∆Z = 4.75 per step.

Fig. 5 proves that there is a strong thicknessdependence of the Z-contrast. The intensitychanges ∆I for one Ru/Mn compositionstep range from 17.4% (t =11 nm) to 7.5%(t =66 nm) while the background increases.

Fig. 6: Peak profiles at a SRO-PCMO interface(Ru/Mn sub-lattice), t =17 nm - probe size series.Note the increasing background!

The assumed probe size for the TITAN isvaried in Fig. 6 from 0.08 nm (perfectlyaligned) to 0.16 nm (not fully aligned). Thisparameter directly influences resolution andresulting background. Taking a sample thick-ness of t =17 nm, determined in Figs. 1 - 3, aprobe size of 0.12 nm is adequate for intensityvariations of ∆I = 14.4% per composition step,which is clearly above the 5% of experimentalnoise. Larger probe sizes cause a S/N problembased on the background intensities.

In conclusion it turned out that the specimenthickness as well as the probe size strongly in-fluence the Z-contrast. A careful simulation-based interpretation of HAADF-STEM imagesof multilayer structures helps to identify thereal sub-lattice intermixing.

References

[1] M. Ziese and I. Vrejoiu, phys. stat. sol. RRL 7,243 (2013).

[2] S. Van Aert, J. Verbeeck, R. Erni, S. Bals, M.Luysberg, D. Van Dyck, and G. Van Tendeloo,Ultramicroscopy 109, 1236 (2009).

[3] K. Ishizuka, Ultramicroscopy 90, 71 (2002);http://www.hremresearch.com/Eng/simulation.html

[4] R. Hillebrand, E. Pippel, D. Hesse, and I. Vrejoiu,phys. stat. sol. a 208, 2144 (2011).

[5] R. Hillebrand, E. Pippel, I. Vrejoiu, and D. Hesse,phys. stat. sol. a, DOI 10.1002/pssa.201329332(2013).

31

Selected Results

High concentration of Al catalyst atoms in Si nanowires

S. Senz, O. Moutanabbir, E. Pippel, and H. Blumtritt

in cooperation with

D. Isheim and D. Seidman

Northwestern University, Evanston, USA

Silicon is one of the most important semi-conductors. The electrical conductivity can beinfluenced by impurities like Al, which leadsto p-type doping of Si. For an efficient dop-ing of nanostructures a high concentration ofthe dopant is required. Silicon nanowires canbe grown using Al islands on a silicon sub-strate as catalysts [1]. The growth is performedin an ultra high vacuum system with Si(111)wafer as substrate and silane gas for chemicalvapour deposition. The growth temperature isfar below the melting temperature of siliconand lower than the bulk eutectic temperatureof the system Si-Al. The nanowires producedby this method have a metastable shape with alarge surface. A scanning electron microscope(SEM) image of nanowires is shown in Fig. 1.

Fig. 1: SEM image of Si nanowires grown with Alcatalyst at 470 ◦C.

The question arises whether other proper-ties of these nanowires also deviate from equi-librium. The solubility of Al in Si extrapo-lated from high temperature data is quite low atthe typical growth temperatures of nanowires(Fig. 4). Initial attempts to quantify the Alcontent in the Si nanowires by transmission

electron microscope (TEM) energy-dispersiveX-ray spectroscopy (EDX) were not success-ful. A standardless method with high sen-sitivity for impurities and possibility to mea-sure samples with small volume is LEAP (lo-cal electrode atom probe). Individual ions areextracted from the surface of a sharp tip bya combination of static electrical field and ul-tra violet laser pulses. The local electrode in-creases the field strength at the tip. The time offlight of the ions to a position sensitive detec-tor gives information about mass and positionon the tip surface.

Fig. 2: Distribution of atoms measured by LEAP.The inset is a TEM image of a nanowire grown at410 ◦C with scale bar 100 nm.

An image of the reconstructed spatial distri-bution of atoms in the nanowire is shown in

32

Selected Results

Fig. 2 [2]. The nanowire is covered by a pro-tecting Ni layer which prevents damage duringfocused ion beam (FIB) preparation. It has theadditional advantage of metallic conductivity,which helps during LEAP measurement.

LEAP allows a clear separation of the neigh-bouring elements Al and Si. The integratedspectrum of detected masses in Fig. 3 showspeaks for 27Al and the three Si isotopes withmass numbers 28, 29 and 30. Some ionshave a small delay before detaching from thenanowire tip. This leads to the background be-tween the Si peaks and at larger masses. Thestructure of the background without unwantedcounts at the channels corresponding to Al isa clear advantage of LEAP compared to TEMEDX. In EDX the strong Si K peak is accom-panied by a background at smaller energiesand the detection of a small amount of Al inthe samples is difficult, because the count ratein the Al K channels is composed by the SiK background overlapping with the real Al Kcount rate.

Fig. 3: LEAP mass spectrum.

Figure 4 shows measured concentrations ofAl in Si. The red line is an extrapolationof the high temperature data [5] (circles), [6](squares). The extrapolated concentration at410 ◦C is about 3 × 1016 cm−3. Two data pointswith low temperature processed samples areshown for comparison: AIC (Al induced crys-tallisation of amorphous Si) [3] and SPE (solidphase epitaxy) [4]. The red stars show the datapoints obtained by LEAP. The concentration ofAl in the nanowires is about 0.4 % for a growthtemperature of 470 ◦C.

As shown in Fig. 1 the diameter of Sinanowires grown at 470 ◦C changes duringgrowth. The amount of Al built into thenanowire is so high that the Al catalyst par-ticle shrinks continuously during growth. Theradius of a nanowire adapts to the radius of the

Fig. 4: Comparison of Al concentrations in Si.

catalyst. As expected the nanowires grown at410 ◦C with a smaller Al concentration showedfar less tapering.

One model of the Al incorporation processis based on the preference of Al for edge po-sitions on a Si(111) surface with edges. Thenanowires grow by adding new (111) planeson top of the nanowire at the interface betweenwire and catalyst. Thus the growth front is incontact with the Al-rich catalyst. The growthof a new silicon layer is by propagation ofa step edge which is then terminated by Al.In some cases Al atoms do not escape fromthe step edge during growth of Si and theyare incorporated into the bulk of the growingnanowire.

References

[1] Y. Wang et al., Nature Nanotechnology 1, 186(2006).

[2] O. Moutanabbir et al., Nature 496, 78 (2013).

[3] O. Nast and S.R. Wenham, J. Appl. Phys. 88, 124(2000).

[4] Y. Civale et al., 8th International Workshop onJunction Technology, 97 (2008).

[5] R.C. Miller and A. Savage, J. Appl. Phys. 27,1430 (1956).

[6] D. Navon and V. Chernyshov, J. Appl. Phys. 28,823 (1957).

33

Selected Results

Correlated optical and structural analysis of individual

p-GaAs/AlGaAs core/shell nanowires

A. Senichev, V. Talalaev, H. Blumtritt, and P. Werner

in cooperation with

G. Cirlin

Ioffe Physico-Technical Institute, St. Petersburg, Russia

III-V based semiconductor nanowires(NWs) directly grown on silicon currentlyreceive an upsurge of interest due to theirpotential for realizing advanced electronicand photonic devices integrated with silicontechnology. In contrast to the cubic zincblende (ZB) lattice type of bulk and thinfilm GaAs, GaAs NWs may exhibit partiallyor predominantly hexagonal wurtzite (WZ)crystal phases, often accompanied by twinnedlamellas of cubic GaAs. Even though there isan ongoing debate about the exact value of theWZ GaAs bandgap, it is commonly acceptedthat the interfaces between both phases, WZand ZB, produce a type-II band alignmentwhich should strongly influence electricaland optical properties of NWs. So far, com-paratively little work has been dedicated tocorrelating optical and structural analysesperformed on the very same nanowire [1, 2].

Here, we report for the first time on thedirect correlation between low-temperaturenear-field photoluminescence (PL) spec-troscopy and transmission electron mi-croscopy characterization of the very samesingle GaAs/AlGaAs core-shell NW. As amodel system we use heavily Berylliumdoped GaAs NWs, grown directly on Si (111)substrate. The NWs are subsequently coatedwith AlGaAs to passivate surfaces and toenhance their emission efficiency.

Near-field scanning optical microscopy(NSOM) was used for high spatial resolutionPL imaging of single NWs. The measure-ments were performed in a home-build low-temperature NSOM operating at 10K inside ahigh vacuum chamber. All measurements wereperformed in near-field illumination-collection

mode using an uncoated, chemically etchedsingle mode fiber as near-field probe. For opti-cal excitation, we coupled light from a helium-neon laser at 543 nm into the near-field fiberprobe. The PL signal was collected throughthe same fiber probe, dispersed in an imagingmonochromator, and detected with a nitrogen-cooled charge-coupled device camera. For

Fig. 1: (a) Two-dimensional near-field map of thetotal PL intensity of the NW acquired at 10 K; (b)topography image recorded simultaneously duringthe scan process, yellow overlay - SEM image.

spatial imaging, a raster scan across the samplesurface was performed in a 4×4 µm2 area witha step size of 40 nm. A full near-field PL spec-trum is detected in the energy range between1.245 eV and 1.870 eV at every pixel of theimage. For maintaining the fiber tip in constantand close proximity to the sample surface, ashear-force distance control method was used.In this measurement configuration, we obtaina PL spatial resolution of less than 150 nm.

34

Selected Results

Figure 1(a) shows a two-dimensional near-field map of the total PL intensity of the sin-gle NW acquired at 10 K, whereas Fig. 1(b)demonstrates corresponding topography im-age, recorded simultaneously during the scanprocess by shear force microscopy.

Fig. 2: Selected near-field PL spectra along theaxis of a single NW recorded at 10 K. The rightinset shows a TEM micrograph of the correspond-ing NW after FIB target preparation. The scale baris 500 nm.

The most significant information is providedby spatial mapping of spectral characteristicsof single NW. Corresponding selected near-field PL spectra along the axis of the same NWare plotted in Fig. 2. The right inset shows aTEM micrograph of this NW, providing a di-rect correlation between TEM structural anal-ysis and local near-field spectral response. Weobserve pronounced spatial variations in theemission spectrum along the length of the wire(Fig. 2). Most remarkably, the strong singlePL band is observed for the top part of theNW, whereas PL spectra of the bottom part ofthe same NW obviously consist of two spectralbands.

We performed a detailed analysis of areasmarked by squares in the inset of Fig. 2 byhigh-resolution TEM to resolve the presenceof ZB with a variation in twin density and WZ

Fig. 3: TEM micrographs show a close view ofthe structure from the marked regions in Fig. 2: (1)WZ-rich region, (2) twin-rich region (3) large seg-ments of pure ZB phase. All scale bars are 5 nm.

phases in studied NW (Fig. 3). By correlatingdirectly optical and TEM analysis, we assignthe emission spectra of the top part of NW tothe pure ZB-type regions, while for twin-richregions we observe the emergence of low en-ergy PL band. The fraction of this PL band isincreasing at the bottom side of the NW, wherea higher density of twin structures with inclu-sions of WZ phase is found. Moreover, the ori-gin of PL peak shift along the NW axis is underdiscussion in the frame of inhomogeneous Bedistribution along the growth direction. Cor-related structural and optical analysis allowsto distinguish and to separate the influence ofcrystal structure and dopant concentration onspectral characteristics of studied NWs. Ourresults present a step forward towards an un-derstanding of the relation between morphol-ogy and band structure and hence toward con-trollable band-gap engineering in such GaAsNWs.

References

[1] M. Heiss, S. Conesa-Boj, J. Ren et al., Phys. Rev.B 83, 045303 (2011).

[2] U. Jahn, J. Lahnemann, C. Pfuller et al., Phys.Rev. B. 85, 045323 (2012).

35

Selected Results

Transverse spin-gradient approximation:

A novel xc functional for non-collinear magnetism

F. G. Eich and E. K. U. Gross

Non-collinear magnetism plays an impor-tant role in the field of spintronics. It emergesdue to the presence of spin-orbit coupling,e.g. in solids with broken inversion symmetry,or when the lattice geometry in an antiferro-magnet causes spin frustration. Spin-density-functional theory (SDFT) is presently the mostwidely used approach for determining the elec-tronic structure of large molecules and solids.Most approximations in SDFT, however, areconstructed for collinear magnetism.

Recently we have shown that it is possibleto extend the very idea of a local spin densityapproximation (LSDA) to non-collinear mag-netism [1]. This is done by taking the uniformelectron gas in the so-called spin-spiral-wave(SSW) state [2, 3] as reference system for theconstruction of a local approximation withinSDFT.

In order to illustrate the idea we briefly re-call the definition of the LSDA. In the LSDAone determines the local exchange correlation(xc) energy density from a function ǫunif

xc (n,m)that depends on the magnitude of the local spinmagnetization m(r) and the local density n(r),

ELSDAxc [n,m] =

∫

d3r ǫunifxc (n(r),m(r)) . (1)

The function ǫunifxc (n,m) itself is determined

from a reference system in which n and m areconstant everywhere in space, i.e., the spin po-larized uniform electron gas.

The SSW state of the uniform electron gasis characterized by a constant density n and bya spin magnetization of the form,

m(r) = m

s cos(q · r)s sin(q · r)√

1 − s2

, (2)

which geometrically is a spiral. The magnitudeof the spin magnetization is constant in space,but its x- and y-components rotate in space

with a wave vector q. The opening angle be-tween the spin magnetization and its constantpart along the z-axis is given by s = sin(θ).Since the electron gas is isotropic the xc energyis determined by four parameters: n, m, s andthe absolute value of the wave vector q = |q|.In analogy to the LSDA, Eq. (1), we have pro-posed the SSW functional

ESSWxc [n,m]

=

∫

d3r ǫSSWxc (n(r),m(r), s(r), q(r)) , (3)

where now a local xc energy density is eval-uated from the local s(r) and q(r) in additionto the local density and magnitude of the spinmagnetization.

We have demonstrated that the local s(r) andq(r) can be defined in terms of transverse gra-dients of the spin magnetization,

s(r) =

√

D2T(r)

D2T(r) + m4(r)dT(r)

, (4)

q(r) =

√

D2T(r) + m4(r)dT(r)

m4(r)DT(r). (5)

DT(r) and dT(r) are the transverse componentsof the gradient and the Laplacian of the spinmagnetization, respectively,

DT(r) = |m(r)×(∇⊗m(r))|2 , (6)

dT(r) =∣

∣

∣

∣

m(r)×(

∇2m(r))

∣

∣

∣

∣

2. (7)

The ⊗ in Eq. (6) emphasizes that the gradi-ent of m(r) is a 3 × 3 matrix. Due to thecross product DT and dT measure the first- andsecond-order variations of m perpendicular tothe spin magnetization. This means that ourfunctional – in contrast to the LSDA – is sen-sitive to local changes in the direction of m.

The dependency on transverse gradients hasan important implication for the xc magnetic

36

Selected Results

-4 -3 -2 -1 0 1 2 3 4

-4

-3

-2

-1

0

1

2

3

4

-0.008

-0.006

-0.004

-0.002

0

0.002

0.004

0.006

0.008

Fig. 1: The z-component of m(r) × Bxc(r) (colorcoded) around chromium atoms in the monolayercomputed using the SSW functional. The arrowsshow the direction of the spin magnetization.

field Bxc, which is defined as the functionalderivative of Exc[n,m] with respect to m(r).The xc magnetic field can be split into threecontributions,

Bxc(r) = Bxc,m(r) + Bxc,DT(r) + Bxc,dT (r) , (8)

which arise due to the dependence of ǫSSWxc on

m, DT and dT, respectively. The first termBxc,m, which is already present in the usualLSDA, is always parallel to m. The two newterms are not parallel to m. Hence they implythe presence of a non-vanishing local torquem(r) × Bxc(r) , 0. This local torque is impor-tant, because it provides an additional term inthe equation of motion for the spin magnetiza-tion [4].

In order to demonstrate that a non-vanishinglocal torque is present for non-collinear sys-tems we have calculated the spin magnetiza-tion for a monolayer of chromium atoms in the120◦-Neel state. In Fig. 1 we plot the localtorque for the triangular lattice. The red andblue regions correspond to positive and nega-tive local torques, respectively. From the pat-tern of positive and negative local torque wecan infer the so-called zero-torque theorem,which states that Bxc cannot exert a net torqueon the system, i.e.,

∫

d3r m(r) × Bxc(r) = 0 . Itis important to stress that this local torque iscompletely absent in the LSDA. The arrows in

Fig. 1 represent the local direction of the spinmagnetization and show the 120◦ rotation ofthe spin magnetization which is due to anti-ferromagnetic coupling between the chromiumatoms. The non-collinear structure arises ascompromise between the anti-ferromagneticcoupling and the triangular structure of thechromium monolayer. In a collinear structure,where the spins are only allowed to point “up”or “down”, the spin magnetization would befrustrated.

A similar local torque has been observedfor the chromium monolayer when treated em-ploying the exact-exchange (EXX) approxima-tion to Exc[n,m] [5]. Note however that thenumerical effort to solve the Kohn-Sham equa-tion with orbital-dependent functionals, suchas the EXX, is much bigger. Since mag-netic structures are often larger than the chem-ical unit cell of the system it is importantto have numerically accessible functionals athand. Having in mind the ab initio descrip-tion of spin dynamics this becomes even moreimportant, since the numerical effort for thepropagation of the system is much bigger thana ground-state calculation. With the currentlyavailable numerical facilities this requires theuse of semi-local functionals (GGAs).

We have shown that our new functional re-tains the numerical simplicity of GGAs whilebeing sensitive to changes in the direction ofthe spin magnetization and hence provides alocal torque. Therefore we believe that ourfunctional will prove useful in the ab initio de-scription of spin dynamics.

References

[1] F. G. Eich and E. K. U. Gross, Phys. Rev. Lett. 111,156401 (2013).

[2] A. W. Overhauser, Phys. Rev. 128, 1437 (1962).

[3] F. G. Eich et al., Phys. Rev B 81, 024430 (2010).

[4] K. Capelle, G. Vignale, and B. L. Gyorffy, Phys.Rev. Lett. 87, 206403 (2001).

[5] S. Sharma et al., Phys. Rev. Lett. 98, 196405(2007).

37

Selected Results

Steps in the exact time-dependent potential energy surface

A. Abedi Khaledi, F. Agostini, Y. Suzuki, and E.K.U. Gross

One of the biggest challenges in condensed-matter physics and theoretical chemistry isthe description of coupled electron-nuclearmotion. A complete description, in princi-ple, is provided by the full electron-nuclearwave function. However, in practice, the fullelectron-nuclear wavefunction can be calcu-lated only for small systems with very few de-grees of freedom.

The adiabatic separation of electronic andnuclear motion resulting from the Born-Oppenheimer (BO) approximation provides anapproximate picture of a molecule or solid asa set of nuclei moving on a single potential en-ergy surface (PES) generated by the electronsin a specific electronic eigenstate. The conceptof the PES emerging from the BO approxima-tion is an essential tool in interpreting molecu-lar processes. However, the BO approximationbreaks down when two or more BOPES comeclose or cross. Some of the most fascinatingmolecular processes occur in the regime wherethe BO approximation is not valid, e.g. ultra-fast nuclear motion through conical intersec-tions, radiationless relaxation of excited elec-tronic states, intra- and inter-molecular elec-tron and proton transfer, to name a few.

The standard way of studying and interpret-ing these, so-called, “non-adiabatic” processesis to expand the full molecular wave functionin terms of the BO electronic states. Withinthis expansion, non-adiabatic processes can beviewed as a nuclear wave packet with contribu-tions on several BOPESs, coupled through thenon-adiabatic coupling terms which in turn in-duce transitions between the BOPESs. Whilethis provides a formally exact description onemay nevertheless ask: Is it also possible tostudy the molecular process using a single po-tential energy surface?

This question is particularly relevant if onethinks of a classical or semi-classical treatmentof the nuclei where a well-defined single clas-

sical force would be highly desirable.

In our previous works, we have introducedan exact time-dependent potential energy sur-face (TDPES) ǫ(R, t) that, together with an ex-act time-dependent vector potential Aν(R, t),governs the nuclear motion. These conceptsemerge from a novel way to approach the cou-pled electron-nuclear dynamics via an exactfactorization, Ψ(r,R, t) = ΦR(r, t)χ(R, t), ofthe electron-nuclear wavefunction [2, 3]. Thecrucial point of this representation is that thewavefunction χ(R, t) that satisfies the exact nu-clear equation of motion leads to an N-bodydensity and an N-body current density that re-produce the true nuclear N-body density andcurrent density obtained from the full wave-function [2, 3]. In this sense, χ(R, t) canbe viewed as the proper nuclear wavefunc-tion whose time evolution is completely de-termined by the TDPES and the vector po-tential that are unique up to within a gaugetransformation. In other words, if one wants atime-dependent Schrodinger equation (TDSE)whose solution χ(R, t) yields the true nuclearN-body density and current density, then thepotentials appearing in this TDSE are uniquelygiven by ǫ(R, t) and Aν(R, t); there is no otherchoice. This also implies, that the gradient ofthis exact TDPES is the only correct force onthe nuclei in the classical limit (plus terms aris-ing from the vector potential).

In our recent work, we have investigatedthe generic features of the exact TDPES inthe presence of strong non-adiabatic cou-plings. As a major result we observe thatthe exact TDPES exhibits nearly discontinu-ous steps connecting different static BOPES,reminiscent of Tully’s surface hopping [1] inthe classical limit. To investigate the TD-PES in detail, we write it as a sum of twoparts: ǫgi(R, t) = 〈ΦR(t)| Hel((r,R, t) |ΦR(t)〉ris form-invariant under gauge-transformations,whereas ǫgd(R, t) = 〈ΦR(t)| − i∂t |ΦR(t)〉r is the

38

Selected Results

part that depends on the choice of gauge.We have calculated the TDPES for a numer-

ically exactly solvable model that is designedsuch that there is a very strong coupling be-tween the first two BOPESs (Fig. 1) [4, 5]. Forthe model system studied in our work, the TD-PES is the only potential that governs the dy-namics of the nuclear wavefunction (the vec-tor potential can be gauged away) and providesus with an alternative way of viewing the non-adiabatic processes. We see that in Fig. 2 thegauge-invariant part of the TDPES is charac-terized by two generic features: (i) in the vicin-ity of the avoided crossing, ǫgi(R, t) becomesidentical with a diabatic PES in the directionof the wave-packet motion, (ii) far from theavoided crossing, ǫgi(R, t), as a function of R,is piecewise identical with different BOPESsand exhibits nearly discontinuous steps in be-tween. The latter feature holds after the wave-packet branches and leaves the avoided cross-ing. The gauge-dependent part, ǫgd(R, t), onthe other hand, is piecewise constant in theregion where ǫgi(R, t) coincides with differentBOPESs. Hence ǫgd(R, t) has little effect on thegradient of the total TDPES.

-0.25

-0.2

-5 -3 -1 1 3 5 7

ε(R

)(ε h

)

R(a0)

Fig. 1: The first (red) and the second (green)BOPESs together with the 3rd one (black dashed-line) and the initial nuclear wavefunction (blacksolid-line).

The diabatic feature (i) of the TDPES sup-ports the use of diabatic surfaces as the driv-ing potential when a wave-packet approachesa region of strong non-adiabatic coupling. Thestep feature (ii) is in agreement with the semi-classical picture of non-adiabatic nuclear dy-namics provided by the Tully’s surface hop-

ping scheme, that suggests to calculate theclassical forces acting on the nuclei accordingto the gradient of only one of the BOPESs.While our findings are based on a simplemodel for which the TDSE can be integratednumerically exactly, we expect that the dia-batic shape and the steps are generic featuresoccurring as well in large realistic systems.The next step on our agenda is to develop novelimproved algorithms for the mixed quantum-classical treatment of electrons and nuclei suchthat the features of diabaticity and steps of theexact TDPES are incorporated in the classicalforces on the nuclei.

-0.28

-0.2

-0.12

ε gi(R

)(ε h

)

t = 9.0 fs 16.22 fs 26.24 fs 57.35 fs

-0.05

0.05

-4 -2

ε gd(R

)(ε h

)

-4 -2 0 2 1 3 5

R[a0]-5 -3 -1 1 3

Fig. 2: Top: The gauge independent part of theTDPES (black solid-line) plotted at four differ-ent times (indicated). For reference, the first twoBOPESs are shown. Bottom: the gauge dependentpart of the TDPES is plotted at the same times.

References

[1] J. Tully and R. Preston, J. Chem. Phys. 55, 562(1971).

[2] A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys.Rev. Lett. 105, 123002 (2010).

[3] A. Abedi, N. T. Maitra and E. K. U. Gross, J.Chem. Phys. 137, 22A530, (2012).

[4] A. Abedi, F. Agostini, Y. Suzuki and E. K. U.Gross, Phys. Rev. Lett. 110, 263001 (2013).

[5] F. Agostini, A. Abedi, Y. Suzuki and E. K. U.Gross, Molecular Physics,DOI:10.1080/00268976.2013.84373 (2013)

39

Selected Results

Spectra from reduced density matrix functional theory

S. Sharma, J. K. Dewhurst, and E. K. U. Gross

Reduced density matrix functional theory(RDMFT) has shown potential for correctlytreating Mott insulators under ambient condi-tions [1]. RDMFT is an attractive electronicstructure method since it is both computation-ally efficient and parameter-free. It is not,however, as well studied as density functionaltheory (DFT), and its performace for stronglycorrelated materials away from ambient con-ditions was unknown. Futhermore, it appeareddifficult to extract a spectral density functionfrom what is fundamentally a ground-state the-ory. Recently, we published an article [2] inwhich we described the extension of RDMFTto the spin-polarised case, and presented amethod for obtaining the photo-emission spec-trum.

The basic variable in RDMFT is the one-body reduced density matrix (1-RDM)

γ(x, x′) ≡ N

∫

Ψ(x, x2 . . . xN)Ψ∗(x′, x2 . . . xN),

where Ψ denotes the many-body wavefunc-tion, N is the total number of electrons, x ≡{r, σ} and all variables except x and x′ are in-tegrated over.

Diagonalization of γ produces a set of or-thonormal functions, the so called natural or-bitals, φi, and occupation numbers, ni. In[2], we extended RDMFT to the non-collinearmagnetic case by treating the natural orbitalsas two-component Pauli-spinors. The neces-sary and sufficient conditions for ensemble N-representability of γ remain the same as forthe spin-unpolarized case [3], namely that 0 ≤ni ≤ 1 for all i, and

∑

i ni = N. In terms of γ,the total ground-state energy of the interactingsystem is

E[γ] = T [γ] +∫

ρ(r)Vext(r) + EH[γ] + Exc[γ],

where T is the kinetic energy and EH is theHartree energy – both known functionals of γ.

The exchange-correlation functional Exc is notknown explicitly and must be approximated.There are several approximations available, in-cluding the so-called ‘power functional’ [1, 4,5] which is used here.

The second of our aims is to determinethe spectral density function from the 1-RDM.This we have done, albeit approximately, byanalyzing the relationship between the Green’sfunction and the density matrix.

We do this by defining the Green’s functionin the basis of natural orbitals:

iGRi j(t − t′) = Θ(t − t′)〈ΨN

0 |{ai(t), a†j(t′)}|ΨN

0 〉,

where ai, a†i

are the creation and annihilationoperators associated with natural orbital i.

By appealing to the Lehmann representa-tion of the Green’s function and limiting themany-body states therein to be single exci-tations around the ground-state, we arrive ata simple expression for the density of states(DOS) in terms of the 1-RDM:

DOS = 2π∑

i

niδ(ω − ǫ−i ) + (1 − ni)δ(ω + ǫ+i ),

where ǫ±i= ∂E/∂ni|ni=1/2.

Following the above procedure, the spectraldensity functions for the strongly correlatedMott insulators NiO, CoO, FeO and MnO arecalculated using the full-potential linearizedaugmented plane wave (FP-LAPW) code Elk[6], developed in-house.

It is immediately apparent from Fig. 1that RDMFT captures the essence of Mott-Hubbard physics: all the Mott insulators con-sidered are insulating in nature. A closer ex-amination of the spectra for NiO, CoO andMnO reveals a good agreement between theRDMFT peaks and the corresponding experi-mental XPS and BIS data. In fact, not only thepeak positions, but also their relative weightsare well reproduced.

40

Selected Results

-12 -9 -6 -3 0 3 6 9

NiO

t2g

eg

O-p

-9 -6 -3 0 3 6 9

MnO

-12 -9 -6 -3 0 3 6 9Energy(eV)

Sp

ectr

al d

en

sity (

arb

. u

nits)

CoO

-9 -6 -3 0 3 6 9Energy(eV)

FeO

Fig. 1: Density of states in presence of AFM order.Site and angular momentum projected spectral den-sity are also presented for transition metal eg andt2g states and Oxygen-p states. Experimental XPSand BIS spectra are presented for comparison. See[2] and references therein.

We also studied pressure-induced insulator-to-metal phase transitions using RDMFT. Theresults obtained for the magnetic moment inMnO under applied pressure are shown inFig. 2. It is clear that the magnetic momentcollapses from 3.6 µB at optimal volume to0.54 µB at a reduced volume. Further reductionof the volume does not change the moment.Within RDMFT we find a volume collapse of11% which, although somewhat higher thanthe experimental value of 6.6%, captures thecorrect qualitative behaviour of the transition.As part of the investigation into reason behindthis moment collapse we plotted the numberof electrons in the Mn d-states as a function ofvolume (Fig. 2). One notices a redistributionof electrons amongst the symmetry projectedt2g and eg states. At the reduced volume of 0.8the number of eg electrons (neg) starts to re-duce finally leveling off at v/v0 = 0.711. Thisis accompanied by an increase in the t2g statecharge (nt2g). This picture is consistent withthe previous results obtained using dynamicalmean fied theory [7].

To conclude, we introduced a method to cal-culate photo-electron spectra within the frame-work of RDMFT and applied it to Mott in-sulators using a spin-polarized extension ofRDMFT. In Ref. [1] we demonstrated that

0.6 0.8 1 1.2V/V

0

1

2

3

4

Mom

ent (µ

Β)

0.6 0.8 1V/V

0

0.5

1

1.5

2

2.5

3

3.5

ne

g n

t2g

Fig. 2: Left panel: on-site magnetic moment forMnO as a function of reduced volume (v/v0). Rightpanel: Mn d-band occupancy resolved into eg andt2g components. See [2] and references therein.

RDMFT is able to produce a Mott-Hubbardgap in the absence of long-range magnetic or-der. The new spin-polarized generalization ofRDMFT presented in Ref. [2] allows us toevaluate the magnetic moment and, in partic-ular, the pressure induced collapse of the mo-ment in MnO This phase transition was foundto be caused by the increase in crystal fieldsplitting which in turn is the result of a re-distribution of charge amongst the states witht2g and eg symmetry.

References

[1] S. Sharma, J. K. Dewhurst, N. N. Lathiotakis, andE. K. U. Gross, Phys. Rev. B 78, 201103 (2008).

[2] S. Sharma, J. K. Dewhurst, S. Shallcross, andE. K. U. Gross, Phys. Rev. Lett. 110, 116403(2013).

[3] A. Coleman, Rev. Mod. Phys. 35, 668 (1963).

[4] N. N. Lathiotakis, S. Sharma, J. K. Dewhurst, F. G.Eich, M. A. L. Marques, and E. K. U. Gross, Phys.Rev. A 79, 040501 (2009).

[5] A. Putaja and E. Rasanen. Phys. Rev. B 84, 035104(2011).

[6] The Elk Code: http://elk.sourceforge.net.

[7] J. Kunes et al., Nature Mater. 7, 198 (2008).

41

Selected Results

Tuning magnetic anisotropy in metallic multilayers by direct surface

charging

P. Ruiz-Dıaz, T. R. Dasa, and V. S. Stepanyuk

Magnetic anisotropy of nanoscale systems isone of the key parameters for spintronic datastorage and processing. Consequently, it hasreceived considerable attention from both ex-perimental and theoretical perspectives in therecent years. Diverse manners of manipulat-ing and controlling it have been sought and ex-ploited.

Among the wide range of different mecha-nisms, applied magnetic fields, spin torque andSTM/AFM magnetic tips can be mentioned asthe most common employed techniques. Nev-ertheless, very often these methods are non-local and experimentally very complex. Ex-ternal electric fields, which have the advantageof being localized, have thereby emerged as anatural technique for controlling the electronicand magnetic properties of the nanosized sys-tems. Another promising route widely used inelectrochemistry but less investigated in mate-rials science to modify and control the intrin-sic mechanical, transport, electronic and mag-netic properties of materials is the change inthe carrier density or charge doping. Surpris-ingly, charge injection has been found to havestronger effects on the magnetism than exter-nal electric fields. On the other hand, it is wellknown that alloying 3d with 5d elements of-ten lead to an enhancement of the magneticanisotropy energy (MAE).

Hence, we combine both features to inves-tigate from an ab initio perspective the effectsof direct surface charging on the MAE by tak-ing Fe-Pt multilayers as a particular example.It is found that the MAE of the multilayers isdrastically altered upon charge doping. Fur-ther, magnitude and orientation of magnetiza-tion can be controlled at once by varying thecharge doping strength. For these systems,charge doping does not significantly influencethe geometrical structure. The effect of ex-cess electrons (holes) is, in most cases, sim-

ply a modest interlayer expansion (not morethan 2%) in the two outermost layers, yieldinga non-appreciable change of the MAE.

-1.2 -0.9 -0.6 -0.3 0 0.3 0.6 0.9 1.2-2

-1

0

1

2

3

injected charge [e/unit cell]

MA

E p

er F

e at

om

[m

eV] (a)

(b)

Fig. 1: MAE per magnetic atom for (a)Pt/Fe/Pt(100) and (b) Pt/Fe2/Pt(100). The charge-doping scale (in units of e/unit cell) is referred tothe neutral system. Positive (negative) values standfor an excess (lack) of valence electrons. The ar-rows indicate the direction of the easy-axis.

The effect of the excess of charge on theMAE in the Fe-Pt multilayers is presentedin Fig. 1. The behavior of the magneticanisotropy and its magnitude mainly dependson the amount of charge added and the cap-ping composition of Fe and Pt layers. For in-stance, in some cases, a linear-like behavior ofthe MAE as a function of the excess of chargewith a remarkable enhancement in the MAE isobtained, e.g., in Pt/Fe/Pt(100). Strong vari-ations in the MAE as much as 90% can bequantified, see Fig. 1(a) [1]. The linear behav-ior of the MAE is not unique. Pt2/Fe/Pt(100)and Pt/Fe/Pt/Fe/Pt(100) also exhibit a lineardependence. However, due to the large MAEvalues observed in these systems, the direc-tion of magnetization is always preserved (out-of plane). Film systems with iron bilayerssuch as Pt/Fe2/Pt(100), Pt2/Fe2/Pt(100) and

42

Selected Results

Fe2/Pt(100) are more interesting. Here, be-sides the MAE variations in its magnitude,magnetization reversal may occur upon chargeinjection [1]. Furthermore, the direct rela-tionship between the MAE and the excess ofcharge vanishes, showing a more complex de-pendence as can be seen in Fig. 1(b).

0.1

0.2

-0.9

0

0.9

-0.2 -0.1 0 0.1 0.2

E -EF

[eV]

0.1

0.2

0.3

-1 -0.5 0 0.5 1-4

-3

-2

-1

0

1

2

dxy

dxz

∆m

L

injected charge

DO

S (

stat

es/e

V)

e

e

e

Fig. 2: Decomposed minority d-orbital local den-sity of states (LDOS) for the Fe layer in the caseof the system depicted in Fig. 1(a), for same rep-resentative charge-doping values, ∆n = n − ndwhere n(nd) refers to the number of electrons in thecharged (neutral) system respectively. Inset: Or-bital moment differences (∆mL = mx

L− mz

Lin units

of 10−2µB ). Arrows indicate the direction of thehighest orbital contribution.

MAE trends can be qualitatively understoodfrom a local perspective. The linear behaviorof the MAE for the system in Fig. 1(a) can beexplained by analyzing the d-orbital-resolvedlocal density of states (LDOS) of the magneticlayers, through the second-order perturbationformula [2]:

MAE ∼ ξ2∑

o,u

|〈ψu|lz|ψo〉|2 − |〈ψu|lx|ψo〉|2

ǫu − ǫo(1)

where {ψo,ψu} stand for the unoccupied (oc-cupied) states and {lx, lz} the angular momen-tum operators respectively. The ξ parameteris an average of the spin-orbit coupling coef-ficient. The main contributions to the MAEcome from the dxy and dxz orbitals. These

orbitals are coupled with each other throughthe lx operator leading to the variations in theMAE arising from the second term in Eq. 1.In the hole doping regime (positive charging),the dxz orbitals remain unchanged, while thedxy orbitals drop near the Fermi level decreas-ing the spin-orbit coupling between them. Thisresults in an enhancement of the MAE. Suchreduction is monotonous (due to the gradualdepletion of dxy orbitals as the number of holesis increased (see Fig. 2) explaining the ob-served linear enhancement of the MAE uponhole doping. When electrons are added to thesample, the coupling between the dxz and dxyorbitals increases leading to a reduction of theMAE. Further, magnetic anisotropy can be re-lated to the orbital moment anisotropy. Forcharged systems featuring strong hybridiza-tions but moderate spin-orbit coupling interac-tions Bruno’s relation (∆ESOC = − ξFe

4µB∆ml,Fe)

is fulfilled [3], see inset of Fig. 2. The largespin-orbit coupling of the non-magnetic lay-ers determines the MAE magnitude and thehybridizations can be tuned by the excess ofcharge (holes). Some of the MAE features ob-served in the multilayers can also be traced inthe spin and orbital moment variations of themagnetic layers.Surface charging results in direct conse-quences in both magnitude and direction ofmagnetization. Charge doping drasticallymodifies the magnetic properties of metallicmultilayers and it can thereby be used as apromising technique for engineering novel ma-terials with potential technological implica-tions, since by controlling the charge carriersdensity, the direction of magnetization of themultilayers sample can be tailored either to beout-of plane or in-plane.

References

[1] P. Ruiz-Dıaz, T. R. Dasa, and V. S. Stepanyuk,Phys. Rev. Lett. 110, 267203 (2013).

[2] D.S. Wang, R. Wu, and A.J. Freeman, Phys. Rev.B 47, 14932 (1993).

[3] P. Bruno, Phys. Rev. B 39, 865 (1989).

43

Selected Results

Impact of atomic structure on the magnon dispersion relation

T.-H. Chuang, K. Zakeri Lori, A. Ernst, L. M. Sandratskii, P. Buczek, Y. Zhang, H. J. Qin,

and J. Kirschner

in cooperation with

W. Adeagbo and W. Hergert

Institut fur Physik, Martin-Luther-Universitat, Halle, Germany

Here we report on the impact of the struc-tural changes on the magnetic interactions inthin ferromagnetic films. Of particular inter-est is the response of the exchange interactionthat determines both magnetic ground stateand spin excitations. Since the excitations cru-cially influence the dynamic as well as ther-modynamic properties of magnets, the inter-play between atomic structure and exchangeinteraction is of great importance for the de-sign of magnetic nanostructures with desiredfunctionality.

We performed experimental and theoreticalstudies of magnon excitations in two Fe filmsof two monolayer (ML) thickness that differ inthe atomic structure: (i) an Fe(110) film pseu-domorphically grown on W(110) and (ii) anFe(111) film grown on the same substrate ontop of a two ML Au buffer layer [1]. In the for-mer case the Fe film grows in bcc-like stack-ing [2], whereas in the latter case it grows infcc-like stacking [3].

The magnons were probed by means of spinpolarized electron energy loss spectroscopy(SPEELS), which has opened a possibility tomeasure the magnons in such ultrathin struc-tures. The magnon dispersion relation is mea-sured along the Γ − K direction of the sur-face Brillouin zone. The SPEELS experi-ments were performed with an incident elec-tron energy of 3.96 eV and a total energy res-olution of about 14.9 meV. The experimen-tally obtained magnon dispersion relation for2Fe/2Au/Fe(110) is shown by solid circles inFig. 1(a). The open circles are experimentaldata obtained earlier on a 2 ML Fe film directlygrown on W(110) [4]. Comparison of the ex-perimental magnon dispersion of the two sys-

tems reveals a strong softening of the magnondispersion relation in the sample with the Aubuffer. For instance, the softening at ∆K‖ = 0.9Å−1 reaches a value of 35 meV. This resultdemonstrates a way of tailoring magnetic ex-citations in low-dimensional structures by ma-terials engineering.

To elucidate the observed experimental re-sults we performed extensive first-principlescalculations. In the calculations we usedthe crystal structure from available experi-ments [2] as well as the crystal structure cal-culated using the VASP code, well knownfor providing accurate total energy and forces.The structural information serve as an inputfor calculations of the electronic and mag-netic properties using a self-consistent Green’sfunction method, which is specially designedfor layered semi-infinite systems. The Heisen-berg exchange parameters were determinedemploying the magnetic force theorem, like-wise implemented within the Green’s functionmethod.

The calculated magnon dispersion relationfor both systems is presented in Fig. 1(b). Thecalculations are in good agreement with the ex-perimental results, apart from small quantita-tive difference in the values of energies. Thisresult shows unambiguously that the magnonsoftening is a consequence of adding the Aubuffer. Analyzing the calculated exchange pa-rameters, we found a strong anisotropy of ex-change interaction for the systems we consid-ered [1]. The strongest interaction takes placebetween atoms of different layers. On the otherhand, in the analysis of the magnon energiesone should take into account that the numberof the nearest neighbors within the layers is

44

Selected Results

bcc(110)

fcc(111)N P

H

K

M

G

G

(b)

(a)

0.2 0.4 0.6 0.8 1.00

50

100

150

200 Theory:2Fe/W(110), relaxed2Fe/2Au/W(110), relaxed2Fe/2Au/W(110):

a^= 2.09Å

a^= 1.84Å

K

Exc

itatio

nE

nerg

y[m

eV]

Wave-vector [Å-1]G

H0

50

100

150

K

Experiment:2Fe/W(110)2Fe/2Au/W(110)

Exc

itatio

nE

nerg

y[m

eV]

H

Fig. 1: (a) Experimental magnon dispersion re-lation measured on a 2 ML Fe on 2 ML Auand 2 ML Fe on W(110) at room temperature.The symbols represent the experimental results.The lines are guide to the eyes. (b) Theoreticalmagnon dispersion relation of 2 ML Fe(111)/2 MLA(111)/W(110) and 2 ML Fe(110)/W(110). Thesymbols represent the results of the calculation forthe relaxed structure. The lines are the results forthe Fe/Au/W(110) system calculated for differentvalues of Fe interlayer spacing.

much larger than between the layers.The exchange parameters between Fe mo-

ments of the 2Fe/2Au/W(110) system do notchange significantly if we repeat the calcu-lations for a free standing Fe film (keepingthe atomic arrangement of the 2Fe/2Au/W(110system). Therefore, the role of the Au buffer ismostly reduced to the modification of the Featomic lattice. The change in the exchange pa-rameters is the consequence of the change inthe electronic structures caused by the modifi-cation of the Fe lattice.

To get deeper insight into the properties ofexchange interactions we performed calcula-tions for the 2Fe/2Au/W(110) system with in-creased distance between Fe layers. The cal-culations showed that, on one hand increas-ing the interlayer distance leads to an expecteddecrease of the interlayer exchange parame-

ters. This results from the fact that a rela-tively small increase of the atomic moments isovercompensated by decreasing interlayer hy-bridization. Unexpectedly, at the same timewe observed an increase in the intralayer ex-change parameters and, as a result, an increasein the energies of the acoustic magnons thatbecame closer to the corresponding energies ofthe 2Fe/W(110) magnons.

To understand the microscopic mechanismof the formation of interatomic exchange pa-rameters, we performed the analysis of thefeatures of the density of states (DOS). Wefound strong modification of the DOS closethe Fermi level upon the structural changes.The 3d states responsible for the interlayer hy-bridization appear substantially higher in en-ergy than the states responsible for the in-tralayer hybridization. With increasing inter-layer distance all states move to lower energiesas a consequence of decreasing 3d band width.However, this shift is more important for dxz,dyz, and dz2 states than for dx2−y2 and dxy statessince it brings them close to the Fermi level.The appearance of a large number of statesnear the Fermi energy makes the energy of thesystem sensitive to the deviation of the atomicmoments and constitutes an important factor inthe enhancement of intralayer exchange inter-action.

Our results demonstrate a way of tailoringmagnetic excitations in low-dimensional mag-nets by engineering the electronic structures.

References

[1] T.-H. Chuang, Kh. Zakeri, A. Ernst, L. M. San-dratskii, P. Buczek, Y. Zhang, H. J. Qin, W.Adeagbo, W. Hergert, and J. Kirschner, Phys.Rev. Lett. 109, 207201 (2012).

[2] H. L. Meyerheim, D. Sander, R. Popescu, J.Kirschner, P. Steadman, and S. Ferrer, Phys. Rev.B 64, 045414 (2001).

[3] R. Zdyb and E. Bauer, Phys. Rev. Lett. 100,155704 (2008).

[4] W. X. Tang, Y. Zhang, I. Tudosa, J. Prokop, M.Etzkorn, and J. Kirschner, Phys. Rev. Lett. 99,087202 (2007).

45

Selected Results

Ab initio study of the spin relaxation in graphene caused by impurities

D. V. Fedorov, S. Ostanin, A. Ernst, and I. Mertig

in cooperation with

M. Gradhand

H. H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom

and

I. V. Maznichenko

Institute of Physics, Martin Luther University Halle-Wittenberg, Halle, Germany

and

J. Fabian

Institute of Theoretical Physics, University Regensburg, Regensburg, Germany

Graphene is a promising material for futurespintronics devices [1]. However, it is essen-tial to understand the underlying mechanismfor the surprisingly fast spin relaxation of con-duction electrons observed in experiment [2].In this context, parameter-free first-principlescalculations are highly desirable. Here, wepresent an ab initio study of the impact ofelectron-impurity scattering on the momentumand spin relaxation time in graphene. The cal-culations are based on our approach developedoriginally for bulk systems [3] and adaptedhere for the film geometry [4]. We consider Cand Si as in-plane impurities and adatoms on afree-standing flat graphene sheet.

Fig. 1: Out-of-plane distances for C and Siadatoms on graphene determined from first princi-ples (with corresponding energetics). Inset: Chargedistribution for a C adatom on top of the bridge po-sition.

Three different positions of an isolated

adatom were simulated: (i) on top of thegraphene hollow site (OH), (ii) on top of thebridge between two host carbon atoms (OB),and (iii) on top of the graphene site (OS).The determined out-of-plane distances of eachadatom configuration and their energetics, ob-tained by using the VASP code [5], are shownin Fig. 1. For both carbon and silicon adatoms,the position OB is energetically preferablecompared to the two others. In addition, Fig. 1shows the charge density contour plots on avertical plane intersecting the graphene bridgeand the C adatom. The latter one inducesa strong change of the charge density gradi-ent, which via the change in the potential in-creases the effective spin-orbit coupling (SOC)[4] drastically.

The electronic structure of graphene wascalculated by means of a fully relativisticKorringa-Kohn-Rostoker method [6]. The mo-mentum and spin relaxation times are ob-tained from the calculated microscopic transi-tion probability expressed via Fermi’s goldenrule as [4]

Pss′

kk′ =2π~niS |T ss′

kk′ |2δ(Ek − Ek′) . (1)

This quantity describes the rate of scatteringfrom the initial momentum state k and spinstate s to the corresponding final states k′ ands′. Here, S and ni denote the sheet area and theimpurity density, respectively. The transition

46

Selected Results

matrix T ss′

kk′ is obtained using the approach ofRefs. [3, 7]. With the Fermi surface averages

1/τss′=

⟨

1/τss′

k

⟩

k, 1/τss

′

k=

∑

k′Pss′

kk′ , (2)

we get the momentum relaxation time τ andthe spin relaxation time T1 as

τ = τ++ = τ−− ,1T1=

1τ+−+

1τ−+=

2τ+−

, (3)

where “+” and “−” denote the relativistic“spin-up” and “spin-down” channels [6, 3].

To calculate these quantities, we assumeni = 2 × 1012 cm−2, similar to estimationsbased on experimental data for charged impu-rities [8]. Such an impurity concentration pro-vides the dilute limit for which Eq. (1) is valid.

The main result of our work is shown in Ta-ble 1, where the momentum and spin relax-ation times provided by C and Si adatoms arepresented in comparison to the related in-planeimpurities. The calculations are performed atthe energy of 0.12 eV above the Dirac point,which corresponds to a carrier density set by agate voltage in experiment [2].

Tab. 1: The momentum relaxation time τ and thespin relaxation time T1 for C and Si impurities ontop of the bridge (OB) and on the in-plane hollowsite (IH) positions. The results are shown for thespin polarization out of the graphene plane.

Our theory τ T1

OB (C) 300 fs 27 nsIH (C) 65 fs 130 µs

OB (Si) 73 fs 210 psIH (Si) 19 fs 39 µs

Experiment [2] ∼ 10 fs ∼ 100 ps

We find the in-plane impurity position (IH)to yield reasonable values for τ, with respectto the experimental data, for both impurityatoms. However, the corresponding spin relax-ation time is on the microsecond scale, whichis a common theoretical expectation for thespin relaxation caused by the intrinsic SOC ingraphene [1]. Thus, such light impurities as

C and Si atoms within the graphene sheet cannot modify the SOC significantly. On the otherhand, the spin relaxation time becomes ordersof magnitude shorter in the case of both C andSi impurities in the OB position. In particu-lar, Si adatoms yield values of T1 comparableto the experimental data. Consequently, for afast spin relaxation a strong change of the po-tential in the out-of-plane direction caused byadatoms is important.

Remarkably, Si adatoms yield also the mo-mentum relaxation time close to the experi-mental data. However, the obtained τ is aboutfour times larger for adatoms in comparisonto impurities in plane. Thus, the momentumrelaxation in graphene is more affected by in-plane impurities than by adatoms. By contrast,the contribution of the adatoms to the spin re-laxation is incredibly enhanced with respect toother impurities. For instance, the relevant ra-tio τ/T1 is about 10−9 for Si impurities in theIH position, while it is increased up to ∼ 10−3

for Si adatoms. This shows that adatoms playthe role of spatial spin hot spots [4] in analogyto the momentum-space spin hot spots [9].

References

[1] D. Pesin and A. H. MacDonald, Nature Mater. 11,409 (2012).

[2] N. Tombros, C. Jozsa, M. Popinciuc, H. T.Jonkman, and B. J. van Wees, Nature (London)448, 571 (2007).

[3] M. Gradhand, D.V. Fedorov, P. Zahn, and I. Mer-tig, Phys. Rev. B 81 020403(R) (2010).

[4] D. V. Fedorov, M. Gradhand, S. Ostanin, I. V.Maznichenko, A. Ernst, J. Fabian, and I. Mertig,Phys. Rev. Lett. 110 156602 (2013).

[5] G. Kresse and J. Hafner, Phys. Rev. B 49, 14251(1994).

[6] M. Gradhand, M. Czerner, D. V. Fedorov, P.Zahn, B. Yu. Yavorsky, L. Szunyogh, and I. Mer-tig, Phys. Rev. B 80, 224413 (2009).

[7] I. Mertig, Rep. Prog. Phys. 62, 237 (1999).

[8] Y.-W. Tan, Y. Zhang, K. Bolotin, Y. Zhao, S.Adam, E. H. Hwang, S. Das Sarma, H. L.Stormer, and P. Kim, Phys. Rev. Lett. 99, 246803(2007).

[9] J. Fabian and S. Das Sarma, Phys. Rev. Lett. 81,5624 (1998).

47

Selected Results

Double photoemission experiments using time-of-flight spectroscopy with

a laboratory megahertz high-harmonic light source

C.-T. Chiang, M. Huth, A. Trutzschler, M. Kiel, F. O. Schumann, J. Kirschner, and W. Widdra

The interaction between electrons in solidsis one of the most important topics in physicsunderlying superconductivity, magnetism andoxide electronics. Among all spectroscopicmethods, double photoemission (DPE) experi-ments allow direct access to the electron cor-relation because the energy and momentumsharing between two electrons could be re-vealed [1]. However, due to the long acquisi-tion time of DPE experiments, an alternativetunable light source in laboratory other thansynchrotron radiation is required. Here wedemonstrate DPE experiments using a high-order harmonic generation (HHG) light sourcein combination with time-of-flight (ToF) spec-troscopy.

The optimization of a HHG light source forToF photoemission spectroscopy requires con-siderations on the photoelectron count rate, therepetition rate, and the space charge effects dueto Coulomb repulsion between photoelectrons.In Fig. 1 the overview of photoemission ex-periments is shown which includes the onsetof space charge effects at one emitted photo-electron per pulse and additional limits of theToF spectroscopy such as the minimum ToFthrough the drift tube and the maximum detec-tion rate. The working region for ToF spec-troscopy is marked as the hatched region inFig. 1, and our present work benchmarks an ef-ficient combination of HHG light source withToF spectroscopy.

The HHG light source is driven by an Yb-fiber laser system with a pulse energy of 14 µJat 0.7 MHz or 10 µJ at 1 MHz. The laser pulsesare focused into a gas jet in a vacuum cham-ber and the generated light is focused ontothe sample in a UHV chamber by a toroidalgrating [6]. By using Ar as the generationmedium, photons with energies up to 40 eVcan be generated at 0.7 MHz and the spec-trum is shown in Fig. 2. Here the light is

Fig. 1: Overview of photoemission experiments.Space charge effects observed in general experi-ments using synchrotron radiation [2], high-orderharmonic generation [3] and femtosecond lasers(fs-laser) [4, 5] are summarized together with ourprevious results [6]. The color scale corresponds tothe energy shift due to space charge effects [7]. Thehatched region marks the space-charge-free work-ing region for ToF spectroscopy.

reflected from a Ag(100) surface to a chan-nelplate and the absolute photon flux can be es-timated by using the reflectivity of Ag (≈ 0.1)and the detection efficiency of the channelplate(≈ 0.1). The maximum photon flux from Ar is1 × 105 photons/s at 32 eV.

The photon flux can be greatly enhanced byusing Xe as shown by the spectra in Fig. 2.Due to the high photon flux these spectra haveto be measured indirectly by the number ofphotoelectrons entering the ToF spectrometerwithin an acceptance angle of 3 ◦. The photonflux from Xe is estimated as 5×107 photons/sat 16 eV and the maximum photon flux is8×108 photons/s at 25 eV. At 1 MHz we ob-tain a lower photon flux of 2×108 photons/s at22.7 eV due to the lower pulse energy from

48

Selected Results

Fig. 2: HHG spectra generated from Ar and Xe.Estimated photon flux is indicated.

Fig. 3: Double photoemission intensity as a func-tion of the count rate of single photoelectrons.

the driving laser. At this photon energy upto 1×105 photoelectrons/s can be measured bythe ToF spectrometer which is indicated inFig. 1.

Using this HHG light source we furtherdemonstrate DPE experiments. As shownin the inset of Fig. 3, experiments were per-formed in normal incidence geometry with twoToF spectrometers which have a 30◦ accep-tance angle each and are mounted at ± 45◦

in coplanar geometry. Two photoelectrons,which are collected separately by the two ToFspectrometers, are analyzed as a pair if theirToF coincide within a time interval of 100 ns.

In Fig. 3 we show the count rate of pair eventsversus the count rate of single photoelectronsmeasured from the Ag(100) surface and fromthe NiO films. In this double logarithmic plottrue coincidence events have a linear depen-dence with a slope of one whereas accidentalevents follow a line with slope of two. Com-paring the data measured on NiO films withthat on the Ag(100) surface, we observe ahigher DPE count rate from the NiO films ata given single photoemission count rate. Thisobservation implies a higher DPE intensity dueto the stronger electron correlation in NiO thanin Ag [8] and is the topic in further ongoingstudies.

To summarize, we use a fiber laser to drivehigh-order harmonic generation at megahertzrepetition rate and produce light with photonenergies up to 40 eV. We provide a completelynew designed HHG source with near opti-mum conditions for ToF photoelectron spec-troscopy. Double photoemission experimentswith this laboratory light source have been re-alized and reveal an increase in the coinci-dence count rate measured on strongly elec-tron correlated NiO films as compared to theAg(100) surface, suggesting further experi-ments on other selected systems, like CoO andMnO.

References

[1] N. Fominykh, J. Berakdar, J. Henk, and P. Bruno,Phys. Rev. Lett. 89, 086402 (2002).

[2] Th. Schmidt et al., Ultramicroscopy 126, 23(2013).

[3] G. L. Dakovski, Y. Li, T. Durakiewicz, and G.Rodriguez, Rev. Sci. Instrum. 81, 073108 (2010).

[4] J. Graf et al., J. Appl. Phys. 107, 014912 (2010).

[5] S. Passlack et al., J. Appl. Phys. 100, 024912(2006).

[6] C.-T. Chiang, A. Blattermann, M. Huth, J.Kirschner, and W. Widdra, Appl. Phys. Lett. 101,071116 (2012).

[7] S. Hellmann et al., Phys. Rev. B 79, 035402(2009).

[8] B. D. Napitu and J. Berakdar, Phys. Rev. B 81,195108 (2010).

49

Selected Results

50

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Ernst, A.Schwerpunktprogramm: Spin Caloric Transport (SpinCaT), Thema: Magneto-Seebeck ef-fect and electron-magnon scatteringterm of contract: 09.06.2011 – 31.12.2015funding: EUR 160 000

Ernst, A.Magneto-electric coupling at metallic surfacesterm of contract: 01.06.2011 – 31.12.2014funding: 1 scientific coworker TVöD E13 3/4, EUR 9 750 for consumables, EUR 28 400 foroverheads

Ernst, A.Schwerpunktprogramm: Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme undkontrollierte Synthese, Thema: Ab initio description of the thermoelectric properties ofheterostructures in the diffusive limit of transportterm of contract: 01.09.2009 – 31.08.2013funding: 1 scientific coworker TVöD E13 3/4, EUR 6 000 for consumables, EUR 26 000 foroverheads

Ernst, A.Schwerpunktprogramm: Topological Insulators: Materials - Fundamental Properties - De-vices, Thema: Electronic, magnetic and transport properties of topological insulators: Anab initio descriptionterm of contract: 26.06.2013 – 31.12.2016funding: EUR 118 200

Ernst, A.Schwerpunktprogramm: Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme undkontrollierte Synthese, Thema: Ab initio description of the thermoelectric properties ofheterostructures in the diffusive limit of transportterm of contract: 01.12.2012 – 31.12.2015funding: EUR 163 600

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Personnel Third-party funds

Meyerheim, H. L.Schwerpunktprogramm: Topological Insulators: Materials - Fundamental Properties - De-vices, Thema: Correlation of geometric and electronic structure of adsorbate covered topo-logical insulator surfacesterm of contract: 26.06.2013 – 31.12.2016funding: EUR 190 900

Stepanyuk, V. S.Structure and magnetism of cluster ensembles on metal surfaces: Microscopic theory of thefundamental interactionsterm of contract: 05.06.2012 – 28.02.2016funding: EUR 157 800

Werner, P.Nanostrukturen basierend auf Si-Nanokristallen: Bildungsmechanismen, chemische Umge-bung und grundlegende physikalisch-elektronische Eigenschaftenterm of contract: 01.10.2010 – 30.09.2013funding: EUR 47 800

Collaborative Research Centres (DFG Sonderforschungsbereiche)

Alexe, M., D. HesseFunktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt A1: Nanoskalige multiferroische Heterostrukturenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 325 800

Alexe, M.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B11: Multiferroische Dynamik an oxidischen Grenzflächenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 43 500

Ernst, A.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt A4: Elektronische Grundzustands- und Anregungseigenschaften komplexer Oxid-strukturenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 276 601

Gross, E. K. U.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B10: Optimale Kontrolle der multiferroischen Quantendynamik in oxidischenNanostrukturenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 270 600

63

Third-party funds Personnel

Hesse, D.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt A8: Multiferroische 0-3-, 2-2-, und 1-3-Kompositeterm of contract: 01.01.2012 – 31.12.2015funding: EUR 21 595

Kirschner, J., H. L. MeyerheimFunktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP),Teilprojekt A5: Wachstum, Struktur und magnetische Eigenschaften ultradünner Über-gangsmetalloxide auf Metallenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 321 220

Mertig, I., J. HenkFunktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B2: Magnetoelektrische Kopplung in multiferroischen Heterostrukturenterm of contract: 01.01.2012 – 31.12.2013funding: EUR 56 734

Schumann, F. O.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B7: Abbildung kurzreichweitiger Korrelationen an oxidischen Ober- und Grenz-flächenterm of contract: 01.01.2012 – 31.12.2015funding: EUR 327 903

Stepanyuk, V. S., D. SanderFunktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B8: Spannungen und Gitterdynamik multiferroischer Systemeterm of contract: 01.01.2012 – 31.12.2015funding: EUR 431 100

Vrejoiu, I.Funktionalität Oxidischer Grenzflächen (SFB 762 MLU Halle-Wittenberg - MPI-MSP), Teil-projekt B5: Magnetische und elektrische Eigenschaften oxidischer Übergitter mit ultradün-nen Einzellagenterm of contract: 01.01.2012 – 30.06.2013funding: EUR 67 900

EU Projects

Gross, E. K. U.Exploring new magnetic materials from first-principles (EXMAMA)term of contract: 01.05.2013 – 30.04.2015funding: EUR 161 969

Gross, E. K. U.Non-adiabatic vibrational spectra from first principlesterm of contract: 11.04.2012 – 10.04.2013funding: EUR 115 773

64

Personnel Doctoral, habilitation and diploma theses

Gross, E. K. U.The dynamics and control in nanostructures for magnetic recording and energy applications(CRONOS)term of contract: 01.07.2012 – 30.06.2015funding: EUR 594 600

Hesse, D., M. Alexe, I. VrejoiuInterfacing Oxides (IFOX)term of contract: 01.11.2010 – 31.10.2014funding: EUR 734 600

Federal Ministry for the Environment, Nature Conservation and NuclearSafety

Breitenstein, O.SolarWinS: Solar-Forschungscluster zur Ermittlung des maximalen Wirkungsgradniveaus vonmultikristallinem Silicium, Teilprojekt 3: Der Einfluß von Kristalldefekten und Zellstrukturenauf die Dunkel-Kennlinienterm of contract: 01.02.2011 – 31.01.2014funding: EUR 591 587

Miscellaneous / Industrial Funding

Reiche, M.Präzise Widerstände im Silizium - PreSi (CiS Forschungsinstitut für Mikrosensorik und Pho-tovoltaik GmbH, Erfurt)term of contract: 05.04.2011 – 31.12.2013funding: EUR 90 000

Reiche, M.Präzise Widerstände im Silizium - PreSi (CiS Forschungsinstitut für Mikrosensorik und Pho-tovoltaik GmbH, Erfurt)term of contract: 01.03.2013 – 31.12.2013funding: EUR 30 000

Werner, P.Zentrum für Innovationskompetenz SiLi-nano: Herstellung von Si/Ge und Ge/SnQuantendot- und Quantenschichtstrukturen auf SOI-Substratenterm of contract: 01.10.2012 – 30.09.2014funding: EUR 42 020

Doctoral, habilitation and diploma theses

Dissertations

Corbetta, M.Spin-polarized scanning tunneling microscopy and spectroscopy study of Fe and Co nano-structures on Cu(111)18.07.2013

65

Awards Personnel

Abedi Khaledi, A.Correlated electron-nuclear dynamics11.07.2013

Johann, F.Control of ferroelectric domains in epitaxial BiFeO3 thin films and submicron structures22.05.2013

Klimenta, F.Preparation, geometric structure and magnetism of ultrathin oxide films on metal surfaces25.04.2013

Thakur, AnitaTwisted light: Propagation properties and particle dynamics13.03.2013

Chuang, T.-H.High wave-vector magnon excitations in ultrathin Fe(111) films grown on Au/W(110) andFe(001) films grown on Ir(001)04.03.2013

Eich, F. G.Non-collinear magnetism in density-functional theory19.12.2012

Awards

Alexe, M.• Wolfson Research Merit Award, Royal Society, UK

Naumann, V., Bauer, J., Breitenstein, O., Großer, S., Hagendorf, C., Lausch, D., Schütze, M.• SiliconPV Award “Towards a physical model for potential-induced degradation (PID)

of Si-solar cells”, 3rd International Conference on Crystalline Silicon Photovoltaics2013 (SiliconPV), Hameln, Germany

Senichev, A. V., Talalaev, V. G., Shtrom, I. V., Schilling, J., Cirlin, G. E., Werner, P.• Best Poster Award “Correlated optical and structural analysis of individual p-

GaAs/AlGaAs core/shell nanowires”, European Materials Research Society SpringMeeting, Strasbourg, France

Senichev, A. V.• Best Poster Award “Light at the Nanotip: Scanning near-field optical microscopy and

spectroscopy”, 538. WE-Heraeus-Seminar, Bad Honnef, Germany

Appointments as professor

Alexe, M.• Department of Physics, University of Warwick, UK

66

Personnel Activities in scientific boards

Activities in scientific boards

Academies, scientific societies, committees etc.

Alexe, M.• Mitglied des Verwaltungsausschusses COST Aktion MP0904 “Single- and multiphase

ferroics and multiferroics with restricted geometries (SIMUFER)”

Bayreuther, G.• Member of the beam-time committee of SOLEIL Synchrotron, Gif-sur-Yvette, France

Gross, E. K. U.• Member of CM0702 COST Action “Chemistry with Ultrashort Pulses and Free

Electron Lasers: Looking for Control Strategies Through ‘EXACT’ Computations”(CUSPFEL)

• Member of the Beirat of the Fritz Haber Research Center for Molecular Dynamics(Minerva-Center), Jerusalem, Israel

• Member of the European Theoretical Spectroscopy Facility (ETSF) Steering Commit-tee

• Member of the Nordita Scientific Advisory Committee, Stockholm, Sweden

• Member of the Steering Committee of the PESC-ESF Program “Interdisciplinary Ap-proaches to Functional Electronic and Biological Materials” (INTELBIOMAT)

Kirschner, J.• International peer-reviewer to the selection of the winners of the Outstanding Science

& Technology Achievement Prize of the Chinese Academy of Sciences

• Member of the International Advisory Board of the Korean Magnetics Society

• Member of the Scientific Advisory Board of the Institute for Molecules and Materials(IMM) at Radboud University Nijmegen, The Netherlands

• Member of the Scientific Advisory Committee IMDEA-Nanociencia (InstitutoMadrileño de Estudios Avanzados), Madrid, Spain

• Mitglied der Nationalen Akademie der Wissenschaften (Leopoldina)

• Mitglied des Preisgerichts des Rudolf-Jaeckel-Preises der Deutschen Vakuum-Gesellschaft e. V.

Pippel, E.• Mitglied des Arbeitskreises “Energiefilterung und Elektronen-Energieverlust-

Spektroskopie” der DGE

• Mitglied des Arbeitskreises “Polymerkeramik” im DGM / DKG - Gemeinschaftsaus-schuss “Hochleistungskeramik”

Przybylski, M.• Honorary Professor of Physical Sciences of the Polish Republic

Sander, D.• Jury-Mitglied des Forschungspreises Sachsen-Anhalt

• Jury-Mitglied des Klaus Tschira Preises für verständliche Wissenschaft

• Member of the PhD-committee of the Universidad de Del Pais Vasco

67

Activities in scientific boards Personnel

• Member of the Review Panel of Beamline ID-03 at ESRF, Grenoble, France

• Member of the Scientific Advisory Committee of the European School on Magnetism

Werner, P.• Member of the Chemistry, Physics and Technology Section of the Scientific Council

of the Max Planck Society

Publishing committees of scientific journals

Alexe, M.• Associate editor “European Physical Journal - Applied Physics”

• Associate editor “Journal of Advanced Dielectrics”

• Member International Advisory Board “Journal of Advanced Research in Physics”,edited by Alexandru Ioan Cuza University, Iasi, Romania

Bauer, J.• Editorial Board of “Conference Papers in Energy”

Breitenstein, O.• Editorial Board “Solar Energy Materials & Solar Cells”

Gross, E. K. U.• Editorial Board Kluwer Series “Progress in Theoretical Chemistry and Physics”

Kirschner, J.• Editorial Board of the “Journal of Magnetics”

Knez, M.• Associate editor “Journal of Nanoscience Letters”

• Member Editorial Board “ISRN Nanotechnology”

Preparing committees of conferences

Alexe, M.• Member of the International Advisory Board of the European Conference on Appli-

cations of Polar Dielectrics (ECAPD)

• Permanent Member of the International Advisory Board of the European Meeting onFerroelectrics

Borisov, V.• Joint IMPRS/SFB Workshop on Nanoscience and -technology, September 30 - Octo-

ber 2, 2013, Halle, Germany

Breitenstein, O.• Member of the International Scientific Committee “Beam Injection Assessment of

Microstructures in Semiconductors” (BIAMS)

Cangi, A.• Member of the Organizing Committee of the CECAM Workshop “Density Functional

Theory: Learning from the Past, Looking to the Future”, July 2 - 5, 2013, Berlin,Germany

68

Personnel Activities in scientific boards

Dewhurst, J. K.• Member of the Organizing Committee of the CECAM Tutorial “Electronic Structure

at the Cutting Edge with Elk”, July 15 - 19, 2013, Lausanne, Switzerland

Golrokh Bahoosh, S.• Joint IMPRS/SFB Workshop on Nanoscience and -technology, September 30 - Octo-

ber 2, 2013, Halle, Germany

Gross, E. K. U.• Co-chair of the Gordon Research Conference “Time-Dependent Density-Functional

Theory”, August 11 - 16, 2013, Biddeford, USA

• Co-organizer of the “Dead See Winter School and Workshop on Exciton Dynamicsin Natural and Man Made Systems”, February 17-20, 2013, Ein Gedi, Israel

• International Symposium on Spin-Polarized Electron Physics and Nanomagnetism,July 10 - 13, 2014, Halle, Germany

• Member of the Organizing Committee of the CECAM Tutorial “Electronic Structureat the Cutting Edge with Elk”, July 15 - 19, 2013, Lausanne, Switzerland

• Member of the Organizing Committee of the Workshop on “Semiclassical Origins ofDensity Functional Approximations”, September 4 - 6, 2013, Los Angeles, USA

Hesse, D.• Co-organizer, 2014 ACerS - Electronic Materials and Applications Conference (EMA-

2014), January 22-24, 2014, Orlando, USA

Hoffmann, M.• Joint IMPRS/SFB Workshop on Nanoscience and -technology, September 30 - Octo-

ber 2, 2013, Halle, Germany

Kirschner, J.• Chairman of the International Advisory Committee of the International Colloquium

on Magnetic Films and Surfaces (ICMFS)

• Member of the International Advisory Committee of the 8th International Symposiumon Metallic Multilayers (MML 2013), 19. - 24-05.2013, Kyoto, Japan

Sander, D.• International Symposium on Spin-Polarized Electron Physics and Nanomagnetism,

July 10 - 13, 2014, Halle, Germany

Sanna, A.• Member of the Organizing Committee of the CECAM Workshop “Density Functional

Theory: Learning from the Past, Looking to the Future”, July 2 - 5, 2013, Berlin,Germany

Sharma, S.• Member of the Organizing Committee of the CECAM Tutorial “Electronic Structure

at the Cutting Edge with Elk”, July 15 - 19, 2013, Lausanne, Switzerland

• Member of the Organizing Committee of the CECAM Workshop “Density FunctionalTheory: Learning from the Past, Looking to the Future”, July 2 - 5, 2013, Berlin,Germany

69

Activities in scientific boards Personnel

Thonig, D.• Joint IMPRS/SFB Workshop on Nanoscience and -technology, September 30 - Octo-

ber 2, 2013, Halle, Germany

70

Scientific events

Scientific meetings

CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to the Future”Berlin, Germany, July 02–05, 2013

CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”Lausanne, Switzerland, July 15–19, 2013

Joint IMPRS/SFB Workshop on Nanoscience and -technologyHalle, Germany, September 30 – October 02, 2013

Joint Colloquia with the Institute of Physics at the MartinLuther University Halle-Wittenberg

I. Bloch (23.05.2013)Max-Planck-Institut für Quantenoptik, Garching, GermanyProbing and controlling quantum matter at the single atom level

U. Czarnetzki (11.07.2013)Ruhr-Universität Bochum, Institut für Plasma- und Atomphysik, Bochum, GermanyPhysik der Radiofrequenz-Plasmen

K. Zakeri Lori (10.10.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyMagnons in ultrathin ferromagnets

Institute seminars

C. Teichert (15.11.2012)Montanuniversität Leoben, Institut für Physik, Leoben, AustriaGraphene as substrate for organic semiconductor thin films

L. Kronik (26.11.2012)Weizmann Institute of Science, Department of Materials and Interfaces, Rehovoth, IsraelTheoretical spectroscopy with density functional theory: New ideas for a long standingproblem

K. Sakamoto (27.11.2012)Chiba University, Department of Nanomaterials Science, Chiba, JapanPeculiar Rashba spins on silicon surfaces

71

SFB Colloquia Scientific events

H. Zabel (07.02.2013)Ruhr-Universität Bochum, Institut für Experimentalphysik, Bochum, GermanyCompeting interactions in lateral magnetic nanostructures

S. Demokritov (22.03.2013)Westfälische Wilhelms-Universität Münster, Institut für Angewandte Physik, Münster, Ger-manySpin-Hall nano-oscillators

W. Sturhahn (16.04.2013)California Institute of Technology, Division of Geology and Planetary Sciences, Pasadena, USAAtomic vibrations in nanostructures studied with nuclear resonant spectroscopy

J. Milano (29.04.2013)Centro Atomico Bariloche, San Carlos de Bariloche, ArgentinaFeGa magnetostrictive thin films and the appearance of self-organized stripe-like domains

C. Schmitz-Antoniak (30.04.2013)Universität Duisburg-Essen, Fakultät für Physik, Duisburg, GermanyNanoscale systems for modern applications studied by x-ray absorption

E. Runge (14.05.2013)TU Ilmenau, Institut für Physik, Ilmenau, GermanyExcitons and plasmons - a match made in heaven?

A. Ehresmann (26.06.2013)Universität Kassel, Institut für Physik und Centre for Interdisciplinary Nanostructure Scienceand Technology (CINSaT), Kassel, GermanyStatic and dynamic local magnetic fields for positioning and controlled movement of smallobjects

X. Jin (13.08.2013)Fudan University, Department of Physics, Shanghai, PR ChinaBi(111) thin film: A quasi three-dimensional topological insulator

X. Marti (22.10.2013)Charles University and Academy of Sciences of the Czech Republic, Prague, Czech RepublicSpintronics with antiferromagnets

SFB Colloquia

A. Loidl (29.11.2012)University of Augsburg, Institute of Physics, Center for Electronic Correlations and Magnetism,Augsburg, GermanyMultiferroics

Q. Niu (13.12.2012)University of Texas at Austin, Department of Physics, Austin, USABerry phase effect on bloch electrons in electromagnetic fields

J. Fontcuberta (16.05.2013)Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Barcelona, SpainSurfaces and interfaces: Engineering tools for emerging properties in transition metal oxides

72

Scientific events Ring Lectures Nano-IMPRS

U. Diebold (20.06.2013)Vienna University of Technology, Institute of Applied Physics, Vienna, AustriaPhysics and chemistry at the magnetite Fe3O4(001) surface

I. Souza (04.07.2013)Universidad del Pais Vasco and Ikerbasque Foundation, San SebastianMagnetoelectric coupling and surface anomalous Hall effect

Ring Lectures Nano-IMPRS

K. Saalwächter (05.11.2012)Martin-Luther-Universität Halle-Wittenberg, Institut für Physik, Halle, GermanyBasic chemistry of nanomaterials: Soft, self-organized systems (part II)

K. Saalwächter (12.11.2012)Martin-Luther-Universität Halle-Wittenberg, Institut für Physik, Halle, GermanyBasic chemistry of nanomaterials: Silicates and sol/gel materials

K. Saalwächter (19.11.2012)Martin-Luther-Universität Halle-Wittenberg, Institut für Physik, Halle, GermanyBasic chemistry of nanomaterials: Metal-based nanostructured materials

K. Zakeri Lori (26.11.2012)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyThe concept of magnetic anisotropy I

K. Zakeri Lori (03.12.2012)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyThe concept of magnetic anisotropy II

C.-T. Chiang (10.12.2012)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanySpin-resolved photoemission spectroscopy from solids

D. Sander (17.12.2012)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyLow temperature physics: How to reach temperatures below 1K (with demonstrations)

P. Werner (14.01.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyElectron microscopy I

P. Werner (21.01.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyElectron microscopy II

C.-T. Chiang (28.01.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyIntroduction to laser-based photoemission spectroscopy

D. Jacob (11.02.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyThe Kondo effect in solids and nanostructures I

73

Visiting groups Scientific events

D. Jacob (18.02.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyThe Kondo effect in solids and nanostructures II

C.-T. Chiang (04.03.2013)Max-Planck-Institut für Mikrostrukturphysik, Halle, GermanyIntroduction to ultrafast spectroscopy

Visiting groups

18 middle school students from the Realschule “August Herrmann Francke” participating inthe school project on inventors and explorers, gathering information on solar cellsHalle, Germany, October 16, 2013

Events for the public at large

Girls’ Day - Future Prospects for GirlsHalle, Germany, April 25, 2013

12. Lange Nacht der WissenschaftenHalle, Germany, July 05, 2013

University lectures

Breitenstein, O.Moderne Methoden der SolarzellencharakterisierungMartin-Luther-Universität Halle-Wittenberg, Hallesummer 13, 2 semester hours

Ernst, A.Moderne Methoden der theoretischen ChemieUniversität Leipzig, Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie,Leipzigsummer 13, 3 semester hours

Ernst, A.Vertiefende theoretische ChemieUniversität Leipzig, Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie,Leipzigsummer 13, 2 semester hours

Ernst, A., D. Jacob, W. HergertAdvanced solid state physicsMartin-Luther-Universität Halle-Wittenberg, Hallesummer 13, 2 semester hours

74

Scientific events University lectures

Widdra, W., C.-T. ChiangExperimentalphysik CMartin-Luther-Universität Halle-Wittenberg, Hallewinter 12/13, 1 semester hour

Zakeri Lori, K., W. WiddraEinführung zur Physik der Oberflächen und NanostrukturenMartin-Luther-Universität Halle-Wittenberg, Hallewinter 12/13, 3 semester hours

75

University lectures Scientific events

76

Publications and presentations

Journals and books

1 Abedi Khaledi, A., F. Agostini, Y. Suzuki, and E. K. U. Gross.Dynamical steps that bridge piecewise adiabatic shapes in the exact time-dependentpotential energy surface.Physical Review Letters 110 (26), 263001/1–5 (2013).

2 Aleshkin, V. Y., A. A. Dubinov, M. N. Drozdov, B. N. Zvonkov, K. E. Kudryavtsev, A. A.Tonkikh, A. N. Yablonskiy, and P. Werner.Structural and optical properties of GaAs-based heterostructures with Ge andGe/InGaAs quantum wells.Semiconductors 47 (5), 636–640 (2013).

3 Amit, I., U. Givan, J. G. Connell, D. F. Paul, J. S. Hammond, L. J. Lauhon, and Y. Rosen-waks.Spatially resolved correlation of active and total doping concentrations in VLS grownnanowires.Nano Letters 13 (6), 2598–2604 (2013).

4 Amsler, M., J. A. Flores Livas, M. A. L. Marques, S. Botti, and S. Goedecker.Prediction of a novel monoclinic carbon allotrope.European Physical Journal B 86 (9), 383/1–3 (2013).

5 Apostolova, I. N., A. T. Apostolov, S. Golrokh Bahoosh, and J. M. Wesselinowa.Origin of ferromagnetism in transitionmetal doped BaTiO3.Journal of Applied Physics 113 (20), 203904/1–4 (2013).

6 Apostolova, I. N., A. T. Apostolov, S. Golrokh Bahoosh, J. M. Wesselinowa, andS. Trimper.Multiferroism in the dielectric function of CuO.Physica Status Solidi RRL 7 (11), 1001–1004 (2013).

7 Arillo-Flores, O. I., M. M. Fadlallah, C. Schuster, U. Eckern, and A. H. Romero Castro.Magnetic, electronic, and vibrational properties of metal and fluorinated metalphthalocyanines.Physical Review B 87 (16), 165115/1–14 (2013).

8 Augarten, Y., T. Trupke, M. Lenio, J. Bauer, J. W. Weber, M. Juhl, M. Kasemann, andO. Breitenstein.Calculation of quantitative shunt values using photoluminescence imaging.Progress in Photovoltaics: Research and Applications 21 (5), 933–941 (2013).

9 Baldsiefen, T. and E. K. U. Gross.Minimization procedure in reduced density matrix functional theory by means of aneffective noninteracting system.Computational and Theoretical Chemistry 1003, 114–122 (2013).

77

Journals and books Publications and presentations

10 Bauer, J., D. Lausch, H. Blumtritt, N. D. Zakharov, and O. Breitenstein.Avalanche breakdown in multicrystalline solar cells due to preferred phosphorous dif-fusion at extended defects.Progress in Photovoltaics: Research and Applications 21 (7), 1444–1453 (2013).

11 Bauer, J.Origins of non-ideal current-voltage characteristics of Si solar cells: Analyses of theimpact of shunts, breakdown sites, and defects on multicrystalline silicon solar cells.Südwestdeutscher Verlag für Hochschulschriften, Saarbrücken, Germany (2012).ISBN 978-3-8381-2865-6.

12 Bautista-Hernandez, A., T. Rangel, A. H. Romero Castro, G.-M. Rignanese, M. Salazar-Villanueva, and E. Chigo-Anota.Structural and vibrational stability of M and Z phases of silicon and germanium fromfirst principles.Journal of Applied Physics 113 (19), 193504/1–7 (2013).

13 Bekenov, L. V., D. V. Mazur, V. N. Antonov, L. P. Germash, and A. Ernst.Electronic structure and x-ray magnetic circular dichroism in (Zn, To)O (T = V, Fe, Co)diluted magnetic semiconductors.Metallofizika i Noveishie Tekhnologii 35 (1), 1–17 (2013).

14 Bern, F., M. Ziese, K. Dörr, A. Herklotz, and I. Vrejoiu.Hall effect of tetragonal and orthorhombic SrRuO3 films.Physica Status Solidi RRL 7 (3), 204–206 (2013).

15 Bhosale, J., A. K. Ramdas, A. Burger, A. Munoz, A. H. Romero Castro, M. Cardona,R. Lauck, and R. K. Kremer.Temperature dependence of band gaps in semiconductors: Electron-phonon interac-tion.Physical Review B 86 (19), 195208/1–10 (2012).

16 Boni, A. G., I. Pintilie, L. Pintilie, D. Preziosi, H. Deniz, and M. Alexe.Electronic transport in (La,Sr)MnO3-ferroelectric-(La,Sr)MnO3 epitaxial structures.Journal of Applied Physics 113 (22), 224103/1–10 (2013).

17 Böttcher, D. and J. Henk.Magnetic properties of strained La2/3Sr1/3MnO3 perovskites from first principles.Journal of Physics: Condensed Matter 25 (13), 136005/1–8 (2013).

18 Bouravleuv, A., G. E. Cirlin, V. Sapega, P. Werner, A. Savin, and H. Lipsanen.Ferromagnetic (Ga,Mn)As nanowires grown by Mn-assisted molecular beam epitaxy.Journal of Applied Physics 113 (14), 144303/1–6 (2013).

19 Breitenstein, O. and S. Rißland.A two-diode model regarding the distributed series resistance.Solar Energy Materials and Solar Cells 110, 77–86 (2013).

20 Breitenstein, O., C. Shen, H. Kampwerth, and M. A. Green.Comparison of DLIT- and PL-based local solar cell efficiency analysis.Energy Procedia 38, 2–12 (2013).

21 Breitenstein, O.Illuminated versus dark lock-in thermography investigations on solar cells.International Journal of Nanoparticles 6 (2/3), 81–92 (2013).

78

Publications and presentations Journals and books

22 Breitenstein, O.Understanding the current-voltage characteristics of industrial crystalline silicon solarcells by considering inhomogeneous current distributions.Opto-Electronics Review 21 (3), 259–282 (2013).

23 Burgener, M., G. Labat, M. Bonin, A. Morelli, and J. Hulliger.Pyroelectric and piezoelectric scanning microscopy applied to reveal the bipolar stateof 4-iodo-4’-nitrobiphenyl (INBP).CrystEngComm 15 (38), 7652–7656 (2013).

24 Cheng, H., Y. Li, E. Kroke, and S. Herkenhoff.In situ synthesis of Si2N2O/Si3N4 composite ceramics using polysilyloxycarbodiimideprecursors.Journal of the European Ceramic Society 33 (11), 2181–2189 (2013).

25 Chopra, A., D. Pantel, Y. S. Kim, M. Alexe, and D. Hesse.Microstructure and ferroelectric properties of epitaxial cation ordered PbSc0.5Ta0.5O3

thin films grown on electroded and buffered Si(100).Journal of Applied Physics 114 (8), 084107/1–5 (2013).

26 Chotorlishvili, L., D. Sander, A. Sukhov, V. K. Dugaev, V. R. Vieira, A. Komnik, and J. Be-rakdar.Entanglement between nitrogen vacancy spins in diamond controlled by a nanome-chanical resonator.Physical Review B 88 (8), 085201/1–8 (2013).

27 Chuang, T.-H., K. Zakeri Lori, A. Ernst, L. M. Sandratskii, P. Buczek, Y. Zhang, H. J. Qin,W. Adeagbo, W. Hergert, and J. Kirschner.Impact of atomic structure on the magnon dispersion relation: A comparison betweenFe(111)/Au/W(110) and Fe(110)/W(110).Physical Review Letters 109 (20), 207201/1–5 (2012).

28 Curecheriu, L., P. Postolache, V. Buscaglia, N. Horchidan, M. Alexe, and L. Mitoseriu.BaTiO3-ferrite composites with magnetocapacitance and hard/soft magnetic proper-ties.Phase Transitions 86 (7), 670–680 (2013).

29 Dadwal, U., R. Scholz, M. Reiche, P. Kumar, S. Chandra, and R. Singh.Effect of implantation temperature on the blistering behavior of hydrogen implantedGaN.Applied Physics A 112 (2), 451–456 (2013).

30 Dasa, T. R., P. Ruiz Diaz, O. O. Brovko, and V. S. Stepanyuk.Tailoring magnetic properties of metallic thin films with quantum well states and ex-ternal electric fields.Physical Review B 88 (10), 104409/1–8 (2013).

31 Dey, P., J. Paul, J. Bylsma, D. Karaiskaj, J. M. Luther, M. C. Beard, and A. H. Romero Cas-tro.Origin of the temperature dependence of the band gap of PbS and PbSe quantumdots.Solid State Communications 165 (13), 49–54 (2013).

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32 Domingo, N., J. Narvaez, M. Alexe, and G. Catalan.Local properties of the surface layer(s) of BiFeO3 single crystals.Journal of Applied Physics 113 (18), 187220/1–6 (2013).

33 Duarte, M. J., J. Klemm, S. O. Klemm, K. J. J. Mayrhofer, M. Stratmann, S. Borodin,A. H. Romero Castro, M. Madinehei, D. Crespo, J. Serrano, S. S. A. Gerstl, P. P. Choi,D. Raabe, and F. U. Renner.Element-resolved corrosion analysis of stainless-type glass-forming steels.Science 341 (6144), 372–376 (2013).

34 Eich, F. G. and E. K. U. Gross.Transverse spin-gradient functional for noncollinear spin-density-functional theory.Physical Review Letters 111 (15), 156401/1–5 (2013).

35 Eickerling, G., C. Hauf, E. W. Schweidt, L. Reichardt, C. Schneider, A. Munoz, S. Lopez-Moreno, A. H. Romero Castro, F. Porcher, A. Gilles, R. Pöttgen, and W. Scherer.On the control parameters of the quasi-one dimensional superconductivity inSc3CoC4.Zeitschrift für Anorganische und Allgemeine Chemie 639 (11), 1985–1995 (2013).

36 Eremeev, S. V., M. Garcia Vergniory, T. V. Menshchikova, A. A. Shaposhnikov, and E. V.Chulkov.The effect of van der Waals gap expansions on the surface electronic structure oflayered topological insulators.New Journal of Physics 14 (11), 113030/1–13 (2012).

37 Espejo, C., T. Rangel, A. H. Romero Castro, M. Gonze, and G.-M. Rignanese.Band structure tunability in MoS2 under interlayer compression: A DFT and GW study.Physical Review B 87 (24), 245114/1–8 (2013).

38 Esquinazi, P., W. Hergert, D. Spemann, A. Setzer, and A. Ernst.Defect-induced magnetism in solids.IEEE Transaction on Magnetics 49 (8), 4668/1–7 (2013).

39 Fedorov, D. V., M. Gradhand, S. Ostanin, I. V. Maznichenko, A. Ernst, J. Fabian, andI. Mertig.Impact of electron-impurity scattering on the spin relaxation time in graphene: A first-principles study.Physical Review Letters 110 (15), 156602/1–4 (2013).

40 Fedorov, D. V., C. Herschbach, A. Johansson, S. Ostanin, I. Mertig, M. Gradhand,K. Chadova, D. Ködderitzsch, and H. Ebert.Analysis of the giant spin Hall effect in Cu(Bi) alloys.Physical Review B 88 (8), 085116/1–7 (2013).

41 Feng, W., H. L. Meyerheim, K. Mohseni, O. O. Brovko, V. S. Stepanyuk, N. Jedrecy,R. Felici, and J. Kirschner.Misfit-induced modification of structure and magnetism in O/Fe(001)-p(1x1).Physical Review Letters 110 (23), 235503/1–5 (2013).

42 Förster, S., K. Meinel, R. Hammer, M. Trautmann, and W. Widdra.Quasicrystalline structure formation in a classical crystalline thin-film system.Nature 502 (7470), 215–218 (2013).

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43 Fuks, J. I., P. Elliott, A. Rubio, and N. T. Maitra.Dynamics of charge-transfer processes with time-dependent density functional theory.Journal of Physical Chemistry Letters 4 (5), 735–739 (2013).

44 Gaal, P., D. Schick, M. Herzog, A. Bojahr, R. Shayduk, J. Goldshteyn, H. A. Navirian,W. Leitenberger, I. Vrejoiu, D. Khakhulin, M. Wulff, and M. Bargheer.Time-domain sampling of x-ray pulses using an ultrafast sample response.Applied Physics Letters 101 (24), 243106/1–4 (2012).

45 Garcia-Domene, B., H. M. Ortiz, O. Gomis, J. A. Sans, F. J. Manjon, A. Munoz,P. Rodriguez-Hernandez, S. N. Achary, D. Errandonea, D. Martinez-Garcia, A. H.Romero Castro, A. Singhal, and A. K. Tyagi.High-pressure lattice dynamical study of bulk and nanocrystalline In2O3.Journal of Applied Physics 112 (12), 123511/1–7 (2012).

46 Garcia Vergniory, M., M. A. L. Marques, S. Botti, M. Amsler, S. Goedecker, E. V. Chulkov,A. Ernst, and A. H. Romero Castro.Comment on ”Topological insulators in ternary compounds with a honeycomb lattice“.Physical Review Letters 110 (12), 129701/1–1 (2013).

47 Gerhard, L., R. J. H. Wesselink, S. Ostanin, A. Ernst, and W. Wulfhekel.Dynamics of electrically driven martensitic phase transitions in Fe nanoislands.Physical Review Letters 111 (16), 167601/1–5 (2013).

48 Geyer, N., B. Fuhrmann, H. S. Leipner, and P. Werner.Ag-mediated charge transport during metal-assisted chemical etching of siliconnanowires.ACS Applied Materials and Interfaces 5 (10), 4302–4308 (2013).

49 Giebels, F., H. Gollisch, and R. Feder.Electron pair emission from W(110): Response to a spin-polarized surface state.Physical Review B 87 (3), 035124/1–7 (2013).

50 Giebels, F., H. Gollisch, and R. Feder.Spin-orbit effects in two-electron emission from ferromagnetic surfaces.Physical Review B 88 (15), 155422/1–14 (2013).

51 Gliga, S., A. Kákay, R. Hertel, and O. G. Heinonen.Spectral analysis of topological defects in an artificial spin-ice lattice.Physical Review Letters 110 (11), 117205/1–5 (2013).

52 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.Microscopic approach to the magnetoelectric effect in RMn2O5.Physica Status Solidi B 250 (9), 1816–1824 (2013).

53 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.Phonon excitations and magnetoelectric coupling in multiferroic RMn2O5.European Physical Journal B 86 (5), 201/1–10 (2013).

54 Golrokh Bahoosh, S. and J. M. Wesselinowa.Critical behavior of multiferroic hexagonal RMnO3.Physica Status Solidi B 249 (11), 2227–2230 (2012).

55 Golrokh Bahoosh, S. and J. M. Wesselinowa.Origin of the different multiferroism in BiFeO3 and GaFeO3.Journal of Applied Physics 113 (6), 063905/1–7 (2013).

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56 Govind, R. K., V. Hari Babu, C.-T. Chiang, E. Magnano, F. Bondino, R. Denecke, andK.-M. Schindler.Magnetic properties of self-assembled Fe nanoislands on BaTiO3(001).Journal of Magnetism and Magnetic Materials 346, 16–20 (2013).

57 Gutsch, S., J. Laube, A. M. Hartel, D. Hiller, N. D. Zakharov, P. Werner, andM. Zacharias.Charge transport in Si nanocrystal/SiO2 superlattices.Journal of Applied Physics 113 (13), 133703/1–9 (2013).

58 Hähnel, A., J. Bauer, H. Blumtritt, O. Breitenstein, D. Lausch, and W. Kwapil.Electron microscope verification of prebreakdown-inducing α-FeSi2 needles in mul-ticrystalline silicon solar cells.Journal of Applied Physics 113 (4), 044505/1–10 (2013).

59 Hamdou, B., J. Gooth, A. Dorn, E. Pippel, and K. Nielsch.Aharonov-Bohm oscillations and weak antilocalization in topological insulator Sb2Te3

nanowires.Applied Physics Letters 102 (22), 223110/1–4 (2013).

60 Hamdou, B., J. Kimling, A. Dorn, E. Pippel, R. Rostek, P. Woias, and K. Nielsch.Thermoelectric characterization of bismuth telluride nanowires, synthesized via cat-alytic growth and post-annealing.Advanced Materials 25 (2), 239–244 (2013).

61 Hartel, A. M., S. Gutsch, D. Hiller, C. Kübel, N. D. Zakharov, P. Werner, andM. Zacharias.Silicon nanocrystals prepared by plasma enhanced chemical vapor deposition: Impor-tance of parasitic oxidation for third generation photovoltaic applications.Applied Physics Letters 101 (19), 193103/1–4 (2012).

62 Heiderich, S., W. Toellner, T. Boehnert, J. G. Gluschke, S. Zastrow, C. Schumacher,E. Pippel, and K. Nielsch.Magnetotransport and thermopower of single Bi0.92Sb0.08 nanowires.Physica Status Solidi RRL 7 (10), 898–902 (2013).

63 Hellgren, M., E. Räsänen, and E. K. U. Gross.Optimal control of strong-field ionization with time-dependent density-functional the-ory.Physical Review A 88 (1), 013414/1–6 (2013).

64 Himcinschi, C., I. Vrejoiu, G. Salvan, M. Fronk, A. Talkenberger, D. R. T. Zahn, D. Rafaja,and J. Kortus.Optical and magneto-optical study of nickel and cobalt ferrite epitaxial thin films andsubmicron structures.Journal of Applied Physics 113 (8), 084101/1–8 (2013).

65 Hinsche, N. F., I. Mertig, and P. Zahn.Lorenz function of Bi2Te3/Sb2Te3 superlattices.Journal of Electronic Materials 42 (7), 1406–1410 (2013).

66 Huang, R., Y. Sun, C. Du, T. Gao, Y. Wu, and V. S. Stepanyuk.STM-mediated atom motion: A Co atom and mixed CoCun chains on a Cu(111)surface.European Physical Journal B 86 (10), 429/1–5 (2013).

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67 Jacob, D., M. Soriano, and J. J. Palacios.Kondo effect and spin quenching in high-spin molecules on metal substrates.Physical Review B 88 (13), 134417/1–5 (2013).

68 Jal, E., M. Dabrowski, J.-M. Tonnerre, M. Przybylski, S. Grenier, N. Jaouen, andJ. Kirschner.Magnetization profile across Au-covered bcc Fe films grown on a vicinal surface ofAg(001) as seen by x-ray resonant magnetic reflectivity.Physical Review B 87 (22), 224418/1–8 (2013).

69 Johann, F., A. Morelli, and I. Vrejoiu.Stability of 71◦ stripe domains in epitaxial BiFeO3 films upon repeated electricalswitching.Physica Status Solidi B 249 (11), 2278–2286 (2012).

70 Juarez Reyes, L., G. M. Pastor, and V. S. Stepanyuk.Tuning substrate-mediated magnetic interactions by external surface charging: Co andFe impurities on Cu(111).Physical Review B 86 (23), 235436/1–8 (2012).

71 Kalem, S., P. Werner, and V. G. Talalaev.Near-IR photoluminescence from Si/Ge nanowire-grown silicon wafers: Effect of HFtreatment.Applied Physics A 112 (3), 561–567 (2013).

72 Kannan, V., M. Arredondo, F. Johann, D. Hesse, C. Labrugere, M. Maglione, and I. Vre-joiu.Strain dependent microstructural modifications of BiCrO3 epitaxial thin films.Thin Solid Films 545, 130–139 (2013).

73 Khrebtov, A. I., V. G. Talalaev, P. Werner, V. V. Danilov, M. V. Artemyev, B. V. Novikov,I. V. Shtrom, A. S. Pafnutova, and G. E. Cirlin.Composite system based on CdSe/ZnS quantum dots and GaAs nanowires.Semiconductors 47 (10), 1346–1350 (2013).

74 Kim, Y. H., X. B. Lu, M. Diegel, R. Mattheis, D. Hesse, and M. Alexe.Growth temperature dependence of crystal symmetry in Nb-doped BaTiO3 thin films.Journal of Advanced Dielectrics 3 (2), 1350009/1–6 (2013).

75 Kim, J.-H., I. Vrejoiu, Y. Khaydukov, T. Keller, J. Stahn, A. Rühm, D. K. Satapathy,V. Hinkov, and B. Keimer.Competing interactions at the interface between ferromagnetic oxides revealed byspin-polarized neutron reflectometry.Physical Review B 86 (18), 180402(R)/1–5 (2012).

76 Kim, Y. S., X. L. Lu, S. Jesse, D. Hesse, M. Alexe, and S. V. Kalinin.Universality of polarization switching dynamics in ferroelectric capacitors revealed by5D piezoresponse force microscopy.Advanced Functional Materials 23 (32), 3971–3979 (2013).

77 Kirschner, J., F. Giebels, H. Gollisch, and R. Feder.Spin-polarized electron scattering from pseudomorphic Au on Ir(001).Physical Review B 88 (12), 125419/1–7 (2013).

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78 Köferstein, R., T. Walther, D. Hesse, and S. G. Ebbinghaus.Preparation and characterization of nanosized magnesium ferrite powders by a starch-gel process and corresponding ceramics.Journal of Materials Science 48 (19), 6509–6518 (2013).

79 Köstner, S., A. Hähnel, R. Mokso, H. Blumtritt, and P. Werner.Structural analysis of longitudinal Si-C-N precipitates in multicrystalline silicon.IEEE Journal of Photovoltaics 3 (1), 566–571 (2013).

80 Kostov, K. L., S. Polzin, S. K. Saha, O. O. Brovko, V. S. Stepanyuk, and W. Widdra.Surface phonon dispersion of a NiO(100) thin film.Physical Review B 87 (23), 235416/1–8 (2013).

81 Kremer, F., E. U. Mapesa, M. Tress, and M. Reiche.Molecular dynamics of polymers at nanometric length scales: From thin layers to iso-lated coils.In: Recent Advances in Broadband Dielectric Spectroscopy, Ed. Y. P. Kalmykov, 163–178. Springer, Dordrecht, The Netherlands (2013).

82 Kulp, C., K. Gillmeister, W. Widdra, and M. Bron.Synthesis of CuCorePtShell nanoparticles as model structures for core-shell electrocata-lysts by direct platinum electrodeposition on copper.ChemPhysChem 14 (6), 1205–1210 (2013).

83 Kutnyakhov, D., P. Lushchyk, A. Fognini, D. Perriard, M. Kolbe, K. Medjanik, E. Fed-chenko, S. A. Nepijko, H. J. Elmers, G. Salvatella, C. Stieger, R. Gort, T. Bähler,T. Michlmayer, Y. Acremann, A. Vaterlaus, F. Giebels, H. Gollisch, R. Feder, C. Tusche,A. Krasyuk, J. Kirschner, and G. Schönhense.Imaging spin filter for electrons based on specular reflection from iridium(001).Ultramicroscopy 130, 63–69 (2013).

84 Lee, S. K., B. H. Choi, and D. Hesse.Epitaxial growth of multiferroic BiFeO3 thin films with (101) and (111) orientations on(100) Si substrates.Applied Physics Letters 102 (24), 242906/1–4 (2013).

85 Li, X., Y. Xiao, J. H. Bang, D. Lausch, S. Meyer, P.-T. Miclea, J.-Y. Jung, S. L. Schweizer,J.-H. Lee, and R. B. Wehrspohn.Upgraded silicon nanowires by metal-assisted etching of metallurgical silicon: A newroute to nanostructured solar-grade silicon.Advanced Materials 25 (23), 3187–3191 (2013).

86 Li, X., Y. Xiao, C. Yan, J.-W. Song, V. G. Talalaev, S. L. Schweizer, K. Piekielska, A. Sprafke,J.-H. Lee, and R. B. Wehrspohn.Fast electroless fabrication of uniform mesoporous silicon layers.Electrochimica Acta 94, 57–61 (2013).

87 Li, X., Y. Xiao, C. Yan, K. Zhou, S. L. Schweizer, A. Sprafke, J.-H. Lee, and R. B.Wehrspohn.Influence of the mobility of Pt nanoparticles on the anisotropic etching properties ofsilicon.ECS Solid State Letters 2 (2), P22–P24 (2013).

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88 Linke, M., Y. Yang, B. Zienicke, M. A. S. Hammam, T. von Haimberger, A. Zacarias,K. Inomata, T. Lamparter, and K. Heyne.Electronic transitions and heterogeneity of the bacteriophytochrome Pr absorptionband: An angle balanced polarization resolved femtosecond VIS pump-IR probe study.Biophysical Journal 105 (10), 1756–1766 (2013).

89 Lu, X. L., S. N. Dong, X. G. Li, M. Alexe, D. Hesse, and Y. Hao.Field dependency of magnetoelectric coupling in multilayered nanocomposite arrays:Possible contribution from surface spins.Applied Physics Letters 101 (22), 222902/1–4 (2012).

90 de Luca, G. M., D. Preziosi, F. Chiarella, R. di Capua, S. Gariglio, S. Lettieri, and M. Sal-luzzo.Ferromagnetism and ferroelectricity in epitaxial BiMnO3 ultra-thin films.Applied Physics Letters 103 (6), 062902/1–4 (2013).

91 Luo, K., P. Elliott, and N. T. Maitra.Absence of dynamical steps in the exact correlation potential in the linear responseregime.Physical Review A 88 (4), 042508/1–6 (2013).

92 Manna, S., P. L. Gastelois, M. Dabrowski, P. Kuswik, M. Cinal, M. Przybylski, andJ. Kirschner.Effect of quantum well states in Cu overlayer on magnetic anisotropy of Fe and Cofilms revisited.Physical Review B 87 (13), 134401/1–7 (2013).

93 Marmodoro, A., A. Ernst, S. Ostanin, and J. B. Staunton.Generalized inclusion of short-range ordering effects in the coherent potential approx-imation for complex-unit-cell materials.Physical Review B 87 (12), 125115/1–13 (2013).

94 Maslyuk, V. V., S. Achilles, L. M. Sandratskii, M. Brandbyge, and I. Mertig.Thermopower switching by magnetic field: First-principles calculations.Physical Review B 88 (8), 081403 (R)/1–5 (2013).

95 Meyerheim, H. L., A. Ernst, K. Mohseni, I. V. Maznichenko, S. Ostanin, F. Klimenta,N. Jedrecy, W. Feng, I. Mertig, R. Felici, and J. Kirschner.BaTiO3(001) (2x1): Relation between structure and magnetism.ESRF Highlights 97–98 (2012).

96 Meyerheim, H. L., A. Ernst, K. Mohseni, I. V. Maznichenko, J. Henk, S. Ostanin, N. Je-drecy, F. Klimenta, J. Zegenhagen, C. Schlüter, I. Mertig, and J. Kirschner.Tuning the structure of ultrathin BaTiO3 films on Me(001) (Me = Fe, Pd, Pt) surfaces.Physical Review Letters 111 (10), 105501/1–5 (2013).

97 Mirhosseini, H., M. Flieger, and J. Henk.Dirac-cone-like surface state in W(110): Dispersion, spin texture and photoemissionfrom first principles.New Journal of Physics 15 (3), 033019/1–16 (2013).

98 Mirhosseini, H., F. Giebels, H. Gollisch, J. Henk, and R. Feder.Ab initio spin-resolved photoemission and electron pair emission from a Dirac-typesurface state in W(110).New Journal of Physics 15 (9), 095017/1–15 (2013).

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99 Morelli, A., F. Johann, N. Schammelt, D. McGrouther, and I. Vrejoiu.Mask assisted fabrication of nanoislands of BiFeO3 by ion beam milling.Journal of Applied Physics 113 (15), 154101/1–4 (2013).

100 Moutanabbir, O., D. Isheim, H. Blumtritt, S. Senz, E. Pippel, and D. N. Seidman.Colossal injection of catalyst atoms into silicon nanowires.Nature 496 (7443), 78–82 (2013).

101 Munoz Saez, F., D. Altbir, M. Kiwi, and J. L. Moran-Lopez.Properties of Fe8−NCoN nanoribbons and nanowires: A DFT approach.Journal of Magnetism and Magnetic Materials 339, 75–80 (2013).

102 Munoz Saez, F., C. Cardenas, J. Rogan, J. A. Valdivia, P. Fuentealba, and M. Kiwi.Ab initio molecular dynamics simulations of Ti2 on C20 collisions and C20Ti2 configura-tions.Journal of Physical Chemistry C 117 (8), 4287–4291 (2013).

103 Munoz Saez, F., J. Rogan, J. A. Valdivia, A. Varas, and M. Kiwi.Binary cluster collision dynamics and minimum energy conformations.Physica B 427, 76–84 (2013).

104 Munoz Saez, F., A. H. Romero Castro, J. Mejia-Lopez, and J. L. Moran-Lopez.Finite-size effects on the magnetocrystalline anisotropy energy in Fe magneticnanowires from first principles.Journal of Nanoparticle Research 15 (4), 1524/1–11 (2013).

105 Nagai, Y., Y. Shinohara, Y. Futamura, Y. Ota, and T. Sakurai.Numerical construction of a low-energy effective Hamiltonian in a self-consistentBogoliubov-de Gennes approach of superconductivity.Journal of the Physical Society of Japan 82 (9), 094701/1–10 (2013).

106 Naumann, V., D. Lausch, A. Graff, M. Werner, S. Swatek, J. Bauer, A. Hähnel, O. Breit-enstein, S. Großer, J. Bagdahn, and C. Hagendorf.The role of stacking faults for the formation of shunts during potential-induced degra-dation of crystalline Si solar cells.Physica Status Solidi RRL 7 (5), 315–318 (2013).

107 Negulyaev, N. N., J. Dorantes-Dávila, L. Niebergall, L. Juarez Reyes, G. M. Pastor, andV. S. Stepanyuk.Alloying route to tailor giant magnetic anisotropy in transition-metal nanowires.Physical Review B 87 (5), 054425/1–7 (2013).

108 Odashima, M. A., A. Marmodoro, P. Buczek, A. Ernst, and L. M. Sandratskii.Chirality-dependent magnon lifetime in a compensated half-metallic ferrimagnet.Physical Review B 87 (17), 174420/1–5 (2013).

109 Oetzel, B., F. Ortmann, L. Matthes, F. Tandetzky, F. Bechstedt, and K. Hannewald.Large bandwidths in synthetic one-dimensional stacks of biological molecules.Physical Review B 86 (19), 195407/1–4 (2012).

110 Otrokov, M. M., S. D. Borisova, V. Chis, M. Garcia Vergniory, S. V. Eremeev, V. M.Kuznetsov, and E. V. Chulkov.Efficient step-mediated intercalation of silver atoms deposited on the Bi2Se3 surface.Pis’ma v ZhETF 96 (11), 799–803 (2012).

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111 Otrokov, M. M., G. Fischer, P. Buczek, A. Ernst, and E. V. Chulkov.Search for stable ferromagnets among AIV /Fe digital alloys (AIV = Si, Ge) using first-principles calculations.Physical Review B 86 (18), 184418/1–7 (2012).

112 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Superparamagnetic response of Fe-coated W tips in spin-polarized scanning tunnelingmicroscopy.Applied Physics Letters 103 (3), 032407/1–4 (2013).

113 Polyakov, O. P., M. Corbetta, O. V. Stepanyuk, H. Oka, A. M. Saletsky, D. Sander, V. S.Stepanyuk, and J. Kirschner.Spin-dependent Smoluchowski effect.Physical Review B 86 (23), 235409/1–4 (2012).

114 Qin, H. J., K. Zakeri Lori, A. Ernst, T.-H. Chuang, Y.-J. Chen, Y. Meng, and J. Kirschner.Magnons in ultrathin ferromagnetic films with a large perpendicular magneticanisotropy.Physical Review B 88 (2), 020404(R)/1–5 (2013).

115 Rangel-Kuoppa, V.-T., A. A. Tonkikh, P. Werner, and W. Jantsch.Electron and hole deep levels related to Sb-mediated Ge quantum dots embedded inn-type Si, studied by deep level transient spectroscopy.Applied Physics Letters 102 (23), 232106/1–4 (2013).

116 Rangel-Kuoppa, V.-T., A. A. Tonkikh, P. Werner, and W. Jantsch.Sb-mediated Ge quantum dots in Ti-oxide-Si diode: Negative differential capacitance.Science and Technology of Advanced Materials 14 (3), 035005/1–7 (2013).

117 Reiche, M., M. Kittler, M. Krause, and H. Übensee.Electrons on dislocations.Physica Status Solidi C 10 (1), 40–43 (2013).

118 Rißland, S. and O. Breitenstein.Considering the distributed series resistance in a two-diode model.Energy Procedia 38, 167–175 (2013).

119 Rißland, S. and O. Breitenstein.Evaluation of luminescence images of solar cells for injection-level dependent life-times.Solar Energy Materials and Solar Cells 111, 112–114 (2013).

120 Rißland, S. and O. Breitenstein.Evaluation of recombination velocities of grain boundaries measured by high resolu-tion lock-in thermography.Energy Procedia 38, 161–166 (2013).

121 Rißland, S., T. M. Pletzer, H. Windgassen, and O. Breitenstein.Local thermographic efficiency analysis of multicrystalline and cast-mono silicon solarcells.IEEE Journal of Photovoltaics 3 (4), 1192–1199 (2013).

122 Ruiz Diaz, P., T. R. Dasa, and V. S. Stepanyuk.Tuning magnetic anisotropy in metallic multilayers by surface charging: An ab initiostudy.Physical Review Letters 110 (26), 267203/1–5 (2013).

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123 Samarin, S., J. Williams, O. Artamonov, L. Pravica, K. Sudarshan, P. Guagliardo,F. Giebels, H. Gollisch, and R. Feder.Intensity asymmetry of the (00) diffracted spin-polarized electron beam scattered fromW(110): Azimuthal dependence.Applied Physics Letters 102 (25), 251607/1–4 (2013).

124 Sander, D., H. Oka, M. Corbetta, V. S. Stepanyuk, and J. Kirschner.New insights into nano-magnetism by spin-polarized scanning tunneling microscopy.Journal of Electron Spectroscopy and Related Phenomena 189, 206–215 (2013).

125 Sandratskii, L. M.Orbital magnetism and magnetic anisotropy in thin-film ferromagnets disturbed fromthe ground state.Physical Review B 88 (6), 064415/1–6 (2013).

126 Schick, D., A. Bojahr, M. Herzog, P. Gaal, I. Vrejoiu, and M. Bargheer.Following strain-induced mosaicity changes of ferroelectric thin films by ultrafast re-ciprocal space mapping.Physical Review Letters 110 (9), 095502/1–5 (2013).

127 Schilling, J., V. G. Talalaev, A. A. Tonkikh, B. Fuhrmann, F. Heyroth, and M. Otto.Enhanced non-radiative recombination in the vicinity of plasma-etched side walls ofluminescing Si/Ge-quantum dot structures.Applied Physics Letters 103 (16), 161106/1–5 (2013).

128 Schönfelder, S., O. Breitenstein, S. Rißland, R. De Donno, and J. Bagdahn.Kerfless wafering for silicon wafers by using a reusable metal layer.Energy Procedia 38, 942–949 (2013).

129 Schumann, F. O., L. Behnke, C.-H. Li, and J. Kirschner.Exploring highly correlated materials via electron pair emission: The case ofNiO/Ag(100).Journal of Physics: Condensed Matter 25 (9), 094002/1–8 (2013).

130 Schumann, F. O., C. Winkler, and J. Kirschner.Electron pair production at surfaces: Response to occupied Shockley state.Physical Review B 88 (8), 085129/1–10 (2013).

131 Sessi, P., M. M. Otrokov, T. Bathon, M. Garcia Vergniory, S. S. Tsirkin, K. A. Kokh, O. E.Tereshchenko, E. V. Chulkov, and M. Bode.Visualizing spin-dependent bulk scattering and break down of the linear dispersionrelation in Bi24Te3.Physical Review B 88 (16), 161407 (R)/1–5 (2013).

132 Shallcross, S., S. Sharma, and O. Pankratov.Emergent momentum scale, localization, and van Hove singularities in the graphenetwist bilayer.Physical Review B 87 (24), 245403/1–10 (2013).

133 Sharma, S., J. K. Dewhurst, S. Shallcross, and E. K. U. Gross.Spectral density and metal-insulator phase transition in Mott insulators within reduceddensity matrix functional theory.Physical Review Letters 110 (11), 116403/1–5 (2013).

88

Publications and presentations Journals and books

134 Shayduk, R., M. Herzog, A. Bojahr, D. Schick, P. Gaal, W. Leitenberger, H. Navirian,M. Sander, J. Goldshteyn, I. Vrejoiu, and M. Bargheer.Direct time-domain sampling of subterahertz coherent acoustic phonon spectra inSrTiO3 using ultrafast x-ray diffraction.Physical Review B 87 (18), 184301/1–7 (2013).

135 Shingne, N., M. Geuss, B. Hartmann-Azanza, M. Steinhart, and T. Thurn-Albrecht.Formation, morphology and internal structure of one-dimensional nanostructures ofthe ferroelectric polymer P(VDF-TrFE).Polymer 54 (11), 2737–2744 (2013).

136 Silkin, I. V., T. V. Menshchikova, M. M. Otrokov, S. V. Eremeev, Y. M. Koroteev, M. Gar-cia Vergniory, V. M. Kuznetsov, and E. V. Chulkov.Natural sulfur-containing minerals as topological insulators with a wide band gap.JETP Letters 96 (5), 322–325 (2012).

137 Stratulat, S. M., X. L. Lu, A. Morelli, D. Hesse, W. Erfurth, and M. Alexe.Nucleation-induced self-assembly of multiferroic BiFeO3-CoFe2O4 nanocomposites.Nano Letters 13 (8), 3884–3889 (2013).

138 Takada, M., P. L. Gastelois, M. Przybylski, and J. Kirschner.A complex magnetic structure of ultrathin Fe films on Rh (001) surfaces.Journal of Magnetism and Magnetic Materials 329, 95–100 (2013).

139 Talalaev, V. G., A. A. Tonkikh, N. D. Zakharov, A. V. Senichev, J. W. Tomm, P. Werner,B. V. Novikov, L. V. Asryan, B. Fuhrmann, J. Schilling, H. S. Leipner, A. D. Bouraulev,Y. B. Samsonenko, A. I. Khrebtov, I. P. Soshnikov, and G. E. Cirlin.Light-emitting tunneling nanostructures based on quantum dots in a Si and GaAs ma-trix.Semiconductors 46 (11), 1460–1470 (2012).

140 Tarun, A., N. Hayazawa, M. V. Balois, S. Kawata, M. Reiche, and O. Moutanabbir.Stress redistribution in individual ultrathin strained silicon nanowires: A high-resolution polarized Raman study.New Journal of Physics 15, 053042/1–15 (2013).

141 Tauber, K., D. V. Fedorov, M. Gradhand, and I. Mertig.Spin Hall and spin Nernst effect in dilute ternary alloys.Physical Review B 87 (16), 161114(R)/1–4 (2013).

142 Tong, X., Y. Qin, X. Guo, O. Moutanabbir, X. Ao, E. Pippel, L. Zhang, and M. Knez.Enhanced catalytic activity for methanol electro-oxidation of uniformly dispersednickel oxide nanoparticles-carbon nanotube hybrid materials.Small 8 (22), 3390–3395 (2012).

143 Tonkikh, A. A., C. Eisenschmidt, V. G. Talalaev, N. D. Zakharov, J. Schilling, G. Schmidt,and P. Werner.Pseudomorphic GeSn/Ge(001) quantum wells: Examining indirect band gap bowing.Applied Physics Letters 103 (3), 032106/1–5 (2013).

144 Tonkikh, A. A. and P. Werner.Surfactant-mediated Stranski-Krastanov islands.Physica Status Solidi B 250 (9), 1795–1798 (2013).

89

Journals and books Publications and presentations

145 Tress, M., E. U. Mapesa, W. Kossack, W. K. Kipnusu, M. Reiche, and F. Kremer.Glassy dynamics in condensed isolated polymer chains.Science 341 (6152), 1371–1374 (2013).

146 Tusche, C., M. Ellguth, A. Krasyuk, A. Winkelmann, D. Kutnyakhov, P. Lushchyk, K. Med-janik, G. Schönhense, and J. Kirschner.Quantitative spin polarization analysis in photoelectron emission microscopy with animaging spin filter.Ultramicroscopy 130, 70–76 (2013).

147 Ummarino, G. A., S. Galasso, D. Daghero, M. Tortello, R. . S. Gonnelli, and A. Sanna.Normal and superconducting properties of LiFeAs explained in the framework of four-band Eliashberg theory.Physica C 492, 21–24 (2013).

148 Ummarino, G. A., S. Galasso, and A. Sanna.A phenomenological multiband Eliashberg model for LiFeAs.Journal of Physics: Condensed Matter 25 (20), 205701/1–5 (2013).

149 Vorobjev, L. E., D. A. Firsov, V. A. Shalygin, V. Y. Panevin, A. N. Sofronov, A. I. Yakimov,A. V. Dvurechenskii, A. A. Tonkikh, and P. Werner.Photoinduced and equilibrium optical absorption in Ge/Si quantum dots.Semiconductors 46 (12), 1529–1533 (2012).

150 Wagner, J.-M., J. Bauer, and O. Breitenstein.Comment on “Origin of breakdown mechanism in multicrystalline silicon solar cells”.Applied Physics Letters 102 (24), 246101/1–1 (2013).

151 Wang, D., L. B. Zhang, W. Lee, M. Knez, and L. Liu.Novel three-dimensional nanoporous alumina as a template for hierarchical TiO2

nanotube arrays.Small 9 (7), 1025–1029 (2013).

152 Winkelmann, A. and M. Vos.The role of localized recoil in the formation of Kikuchi patterns.Ultramicroscopy 125, 66–71 (2013).

153 Yamaguchi, J., A. Sekiyama, M. Y. Kimura, H. Sugiyama, Y. Tomida, G. Funabashi,S. Kimori, T. Balashov, W. Wulfhekel, T. Ito, S. Kimura, A. Higashiya, K. Tamasaku,M. Yabashi, T. Ishikawa, S. Yeo, S.-I. Lee, F. Iga, T. Takabatake, and S. Suga.Different evolution of the intrinsic gap in strongly correlated SmB6 in contrast to YbB12.New Journal of Physics 15 (4), 043042/1–12 (2013).

154 Yitamben, E. N., L. Niebergall, R. B. Rankin, E. V. Iski, R. A. Rosenberg, J. P. Greeley, V. S.Stepanyuk, and N. P. Guisinger.Tracking amino acids in chiral quantum corrals.The Journal of Physical Chemistry C 117 (22), 11757–11763 (2013).

155 Yu, P. and J. Kirschner.Nanoscale imaging of photoelectrons using an atomic force microscope.Applied Physics Letters 102 (6), 063111/1–3 (2013).

156 Yu, P. and J. Kirschner.Nanoscale photoelectron mapping and spectroscopy with an atomic force microscope.Physical Review Letters 111 (6), 067602/1–5 (2013).

90

Publications and presentations Conference proceedings

157 Yu, Y., C. Yan, L. Gu, X. Lang, K. Tang, L. Zhang, Y. Hou, Z. Wang, M. W. Chen, O. G.Schmidt, and J. Maier.Three-dimensional (3D) bicontinuous Au/amorphous-Ge thin films as fast and high-capacity anodes for lithium-ion batteries.Advanced Engineering Materials 3, 281–285 (2013).

158 Zakeri Lori, K. and J. Kirschner.Probing magnons by spin-polarized electrons.In: Magnonics: From Fundamentals to Applications, Topics in Applied Physics, Eds.S. O. Demokritov and A. N. Slavin, Vol. 125, 83–99. Springer Verlag, Heidelberg,Germany (2013).ISBN 978-3-642-30246-6.

159 Zakeri Lori, K., Y. Zhang, and J. Kirschner.Surface magnons probed by spin-polarized electron energy loss spectroscopy.Journal of Electron Spectroscopy and Related Phenomena 189, 157–163 (2013).

160 Zheng, C. L., K. Scheerschmidt, H. Kirmse, I. Häusler, and W. Neumann.Imaging three-dimensional (Si,Ge) nanostructures by off-axis electron holography.Ultramicroscopy 124, 108–116 (2013).

161 Zibrov, I. P., N. D. Zakharov, P. Werner, D. V. Drobot, E. E. Nikoshina, and E. N. Lebe-deva.New high pressure rare earth tantalates RExTa2O5+1.5x(RE=La, Eu, Yb).Journal of Solid State Chemistry 203, 240–246 (2013).

162 Ziese, M., F. Bern, A. Setzer, E. Pippel, D. Hesse, and I. Vrejoiu.Existence of a magnetically ordered hole gas at the La0.7Sr0.3MnO3/SrRuO3 interface.European Physical Journal B 86 (2), 42/1–8 (2013).

163 Ziese, M., F. Bern, and I. Vrejoiu.Exchange bias in manganite/SrRuO3 superlattices.Journal of Applied Physics 113 (6), 063911/1–6 (2013).

164 Ziese, M. and I. Vrejoiu.Properties of manganite/ruthenate superlattices with ultrathin layers.Physica Status Solidi RRL 7 (4), 243–257 (2013).

165 Zlotnikov, I., D. Shilo, Y. Dauphin, H. Blumtritt, P. Werner, E. Zolotoyabko, and P. Fratzl.In situ elastic modulus measurements of ultrathin protein-rich organic layers in biosil-ica: Towards deeper understanding of superior resistance to fracture of biocomposites.RSC Advances 3 (17), 5798–5802 (2013).

166 Zoldan, V. C., R. Faccio, C. L. Gao, and A. A. Pasa.Coupling of cobalt-tetraphenylporphyrin molecules to a copper nitride layer.Journal of Physical Chemistry C 117 (31), 15984–15990 (2013).

Conference proceedings

167 Bauer, J., A. Hähnel, H. Blumtritt, D. Lausch, W. Kwapil, and O. Breitenstein.TEM investigations on an iron silicide particle inducing type-2 breakdown in mc-Sisolar cells.In: Proceedings 27th European Photovoltaic Solar Energy Conference and Exhibition

91

Conference proceedings Publications and presentations

2012, Eds. S. Nowak, A. Jäger-Waldau, and P. Helm, 1246–1250. WIP, Munich, Ger-many (2012).

168 Bauer, J., D. Lausch, H. Blumtritt, N. D. Zakharov, and O. Breitenstein.A novel origin of avalanche breakdown in multicrystalline silicon solar cells.In: Proceedings 27th European Photovoltaic Solar Energy Conference and Exhibition2012, Eds. S. Nowak, A. Jäger-Waldau, and P. Helm, 857–860. WIP, Munich, Germany(2012).

169 Baydakova, N. A., A. V. Novikov, D. N. Lobanov, D. A. Pryakhin, A. A. Tonkikh, andP. Werner.The impact of blocking layers on electroluminescence of Ge(Si)/Si(001) nanoislands.In: Proceedings XVII International Symposium Nanophysics and Nanoelectronics, 364.Nizhnii Novgorod, Russia (2013).

170 Breitenstein, O.Lock-in thermography based local efficiency analysis of solar cells.In: Proceedings 38th International Symposium for Testing and Failure Analysis (ISTFA),250–254. Phoenix, USA (2012).

171 Chiang, C.-T., A. Blättermann, M. Huth, J. Kirschner, and W. Widdra.Oscillator-based high-order harmonic generation at 4 MHz for applications in time-of-flight photoemission spectroscopy.In: EPJ Web of Conferences, XVIIIth International Conference on Ultrafast Phenomena,Vol. 41, 01019/1–3 (2013).

172 Erfurth, W., A. Thompson, and N. Ünal.Electron dose reduction through improved adhesion by cationic organic material withHSQ resist on an InGaAs multilayer system on GaAs substrate.In: Proceedings of SPIE, Eds. M. H. Somervell and T. I. Wallow, Vol. 8682, 86821Z/1–7.SPIE, San Jose, USA (2013).

173 Khrebtov, A. I., G. E. Cirlin, V. G. Talalaev, I. V. Shtrom, A. D. Bourauleuv, Y. B. Samso-nenko, V. V. Danilov, A. S. Pafnutova, B. V. Novikov, and P. Werner.Composite system based on CdSe/ZnS quantum dots and GaAs nanowires.In: Proceedings 21st International Symposium “Nanostructures: Physics and Technol-ogy”, 208–209. St. Petersburg, Russia (2013).

174 Lausch, D., K. Petter, R. Bakowskie, J. Bauer, O. Breitenstein, and C. Hagendorf.Classification and investigation of recombination active defect structures in multicrys-talline silicon solar-cells.In: Proceedings 27th European Photovoltaic Solar Energy Conference and Exhibition2012, Eds. S. Nowak, A. Jäger-Waldau, and P. Helm, 723–728. WIP, Munich, Ger-many (2012).

175 Panevin, V. Y., A. N. Sofronov, L. E. Vorobjev, D. A. Firsov, V. A. Shaligin, M. Y. Vin-nichenko, A. A. Tonkikh, and P. Werner.Lateral photoconductivity of Ge/Si structures with quantum dots.In: Proceedings XVII International Symposium Nanophysics and Nanoelectronics, 629.Nizhnii Novgorod, Russia (2013).

176 Reiche, M., M. Kittler, H. Übensee, E. Pippel, and S. Hopfe.Dislocations as native nanostructures - electronic properties.In: Proceedings 2013 World Congresson Advances in Nano, Biomechanics, Robotics,and Energy Research (ANBRE13), 512–524. Seoul, Korea (2013).

92

Publications and presentations Invited lectures

177 Reiche, M., M. Kittler, and H. Übensee.Trap-assisted carrier transport in nanostructures.In: Proceedings 13th IEEE International Conference on Nanotechnology, 1164–1167.Beijing, PR China (2013).

178 Reiche, M., M. Kittler, and H. Übensee.Trap-assisted tunneling on extended defects in tunnel field-effect transistors.In: Proceedings 2013 International Conference on Solid State Devices and Materials(SSDM 2013), 80–81. Fukuoka, Japan (2013).

179 Shtrom, I. V., A. V. Senichev, V. G. Talalaev, G. E. Cirlin, A. D. Bourauleuv, and P. Werner.Correlated optical and structural analysis of individual p-type doped GaAs/AlGaAscore-shell nanowires.In: Proceedings 21st International Symposium “Nanostructures: Physics and Technol-ogy”, 204–205. St. Petersburg, Russia (2013).

Invited lectures

180 Alexe, M.Electronic transport in multiferroic heterostructures.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013.

181 Alexe, M.Multiferroic tunnel junctions.Leverhulme Workshop on Oxide Nanoferroics, Banyalbufar, Spain.09. - 12.01.2013.

182 Alexe, M.Reversible electrical switching of spin polarization in multiferroic tunnel junctions.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013.

183 Alexe, M.Time-resolved photoelectric force microscopy for high resolution mapping of recom-bination centers in BiFeO3.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013.

184 Bauer, J.Electrical breakdown at p-n junctions and a closer look on breakdown in Si solar cells.Physikalisches Kolloquium, RWTH Aachen, Aachen, Germany.25.04.2013.

185 Bhatnagar, A. and M. Alexe.Anomalous photovoltaic effect in BiFeO3.IEEE 2013 Joint UFFC, EFTF and PFM Symposium, Prague, Czech Republic.21. - 25.07.2013.

93

Invited lectures Publications and presentations

186 Bhatnagar, A., Y. H. Kim, J. H. Lee, D. Hesse, and M. Alexe.Effect of domain wall conductivity and strain on anomalous photovoltaic effect inBiFeO3.Leverhulme Workshop on Oxide Nanoferroics, Banyalbufar, Spain.09. - 12.01.2013.

187 Breitenstein, O., J. Bauer, A. Hähnel, V. Naumann, C. Hagendorf, and M. Schütze.Physikalische Beschreibung des PID-Effekts.PID-Workshop, Fraunhofer Institut für Solare Energiesysteme (ISE), Freiburg, Germany.30.04.2013.

188 Breitenstein, O., C. Shen, H. Kampwerth, and M. A. Green.Comparison of DLIT- and PL-based local solar cell efficiency analysis.23rd Workshop on Crystalline Silicon Solar Cells and Modules: Materials and Pro-cesses, Breckenridge, USA.28. - 31.07.2013.

189 Breitenstein, O.Lock-in infrared thermography for IC failure analysis.38th International Symposium for Testing and Failure Analysis (ISTFA), Phoenix, USA.11. - 15.11.2012.

190 Breitenstein, O.The recombination activity of extended defects in solar silicon material.Max Planck Institute of Iron Research GmbH, Düsseldorf, Germany.03.12.2012.

191 Brovko, O. O., W. Feng, H. L. Meyerheim, V. S. Stepanyuk, and J. Kirschner.Interplay between magnetism and mesoscopic relaxations at the atomic scale.2nd Swedish-Russian-German Workshop “Ordering and Dynamics in Magnetic Nano-structures”, Uppsala, Sweden.16. - 18.09.2013.

192 Burke, K., S. Pittalis, R. Ribeiro, and A. Cangi.Systematic non-empirical derivation of density functional approximations.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013.

193 Cangi, A., E. K. U. Gross, and K. Burke.DFT and beyond: Electronic structure via potential functional approximations.Postdoc Seminar, Yale University, Department of Chemistry, New Haven, USA.25.04.2013.

194 Cangi, A.Space, the final frontier ... Der moderne Raumbegriff in der Physik.Otto-Friedrich-Universität, Bamberg, Germany.30.05.2013.

195 Corbetta, M., O. P. Polyakov, O. V. Stepanyuk, H. Oka, A. M. Saletsky, D. Sander, V. S.Stepanyuk, and J. Kirschner.Spin-dependent Smoluchowski effect.Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.22.02.2013.

94

Publications and presentations Invited lectures

196 Dewhurst, J. K., F. Tandetzky, S. Sharma, and E. K. U. Gross.Multiplicity of solutions for GW like approximations.Workshop “Recent Progress in Dynamical Mean-field Theory and GW Calculations,and Hands-On School on Full-Potential LMTO Method (RSPt Code)”, Strasbourg,France.17. - 20.12.2012.

197 Dewhurst, J. K., W. Tarantino, K. Krieger, S. Sharma, F. Tandetzky, and E. K. U. Gross.Describing the interaction of light and matter beyond ALDA.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013.

198 Dewhurst, J. K.Introduction to Elk.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

199 Dewhurst, J. K.Linear response phonons.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

200 Dugaev, V. K.Anomalous transport of charge and spin in two-dimensional systems with randomspin-orbit interaction.Symposium in Memory of Professor Korney Tovstyuk, Lvov, Ukraine.13.09.2013.

201 Ernst, A.First-principles design of magnetic oxides.Research Conference: Computation Meets Experiment, Coventry, UK.13. - 15.07.2013.

202 Ernst, A.First-principles design of topological insulators.CECAM Workshop “KKR Green’s Functions for Calculations of Spectroscopic, Trans-port and Magnetic Properties”, Coventry, UK.09. - 12.07.2013.

203 Ernst, A.First-principles design of topological insulators.Joint Workshop of Interactive Materials Science Cadet Program, Osaka, Japan.16. - 19.06.2013.

204 Ernst, A.Magnetic excitations in thin films.Tokyo University, Department of Physics, Tokyo, Japan.24.06.2013.

95

Invited lectures Publications and presentations

205 Essenberger, F. and J. K. Dewhurst.Magnetic calculations.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

206 Flores Livas, J. A., S. Sharma, J. K. Dewhurst, and E. K. U. Gross.Designing new materials from first principles: Computational and experimental results.6th International ABINIT Developer Workshop, Dinard, France.15. - 18.04.2013.

207 Garcia Vergniory, M.Exchange interactions and its tuning in magnetic binary chalcogenides. Design andsearch of new topological insulators.Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany.31.07.2013.

208 Gross, E. K. U.How to make the Born-Oppenheimer approximation exact: A fresh look at potentialenergy surfaces and Berry phases in the time domain.CECAM Workshop “Vibrational Coupling: Most important, often ignored, and a chal-lenge for ab-initio theory”, Lausanne, Switzerland.06. - 09.11.2012.

209 Gross, E. K. U.How to make the Born-Oppenheimer approximation exact: A fresh look at potentialenergy surfaces and Berry phases and their time-dependent generalization.International Workshop on Computational Methods for Complex Systems, Hong KongSAR, PR China.09. - 12.12.2012.

210 Gross, E. K. U.Future aspects.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

211 Gross, E. K. U.How to make the Born-Oppenheimer approximation exact: A fresh look at potentialenergy surfaces and Berry phases.Italian National Conference on Condensed Matter Physics (FisMat 2013), Milan, Italy.09. - 13.09.2013.

212 Gross, E. K. U.How to make the Born-Oppenheimer approximation exact: Towards the consistenttreatment of multi-component many-body systems.XVII. International Conference on Recent Progress in Many-Body Theories (MBT17),Rostock, Germany.08. - 13.09.2013.

213 Gross, E. K. U.How to predict the critical temperature of superconductors.Peking University, School of Physics, Beijing, China.30.10.2013.

96

Publications and presentations Invited lectures

214 Gross, E. K. U.TDDFT introduction.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

215 Gross, E. K. U.Towards the ab-initio description of photo-induced processes.16th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-16),Beijing, China.27. - 30.10.2013.

216 Gross, E. K. U.Towards the control of many-electron systems: A marriage of TDDFT with optimalcontrol theory.536th WE Heraeus Seminar on Optimal Control of Quantum Systems, Bad Honnef,Germany.16. - 19.06.2013.

217 Gross, E. K. U.What can dynamical density-functional-theory tell us about superconductivity?Symposium zum 70. Geburtstag von Prof. Dr. Werner Hanke, Universität Würzburg,Physikalisches Institut, Würzburg, Germany.19. - 20.07.2013.

218 Gross, E. K. U.What is the correct classical force on the nuclei: A fresh look at potential energysurfaces and Berry phases in the time domain.Workshop “Semiclassical Origins of Density Functional Approximations”, Institute forPure and Applied Mathematics, Los Angeles, USA.04. - 06.09.2013.

219 Gross, E. K. U.What is the correct force on the nuclei: A fresh look at potential energy surfaces, Berryphases, and surface hopping.Symposium, Center for Free-Electron Laser Science, Hamburg, Germany.17.06.2013.

220 Gross, E. K. U.What is the right potential acting on the electrons when the nuclei are not clamped?CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013.

221 Gross, E. K. U.Optimal control theory.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013.

222 Gross, E. K. U.Recent developments in time-dependent density-functional theory within and beyondlinear response.

97

Invited lectures Publications and presentations

APS March Meeting 2013, Baltimore, USA.18. - 22.03.2013.

223 Gross, E. K. U.What is the correct classical force in the nuclei: A fresh look at potential energy sur-faces and Berry phases in the time domain.Workshop on Excitons in Natural and Manmade Materials, Ein Gedi, Israel.17. - 20.02.2013.

224 Gross, E. K. U.What is the correct classical force on the nuclei.International CECAM-Workshop “Molecular Electronics: Quo Vadis?”, Bremen, Ger-many.04. - 08.03.2013.

225 Hagendorf, C., V. Naumann, D. Lausch, S. Großer, J. Bauer, O. Breitenstein, and J. Bag-dahn.The origin of shunting in potential induced degradation of C-Si cells and modules.23rd Workshop on Crystalline Silicon Solar Cells & Modules: Materials and Processes,Breckenridge, USA.28. - 31.07.2013.

226 Hesse, D. and M. Alexe.Nanosize ferroelectric and multiferroic epitaxial perovskite heterostructures.4th International Conference “From Nanoparticles and Nanomaterials to Nanodevicesand Nanosystems”, Corfu, Greece.16. - 20.06.2013.

227 Hesse, D.Einsatz der hochauflösenden (S)TEM für Untersuchungen von Funktionsperowskiten.17. Tagung Festkörperanalytik, Chemnitz, Germany.01. - 03.07.2013.

228 Hesse, D.Electron microscopy of functional oxide thin films and heterostructures.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013.

229 Jacob, D.Towards a full ab-initio description of strong correlation in nanoscopic devices.Workshop on Recent Progress in Dynamical Mean-Field Theory and GW Calculationsand Hands-On School on the Full-Potential LMTO Method (RSPt Code), Strasbourg,France.17. - 20.12.2012.

230 Jacob, D.Kondo effect in molecular devices from first principles.Universidad Autonóma de Madrid, Departamento de Física de la Materia Conden-sada, Madrid, Spain.18.09.2013.

231 Jacob, D.Kondo effect in molecular devices from first principles.Universidad de Alicante, Departamento de Física Aplicada, Alicante, Spain.25.09.2013.

98

Publications and presentations Invited lectures

232 Keune, W.Surface spin canting in iron oxide nanoparticles studied by Mössbauer spectroscopyand X-ray magnetic circular dichroism (XMCD).5th Seeheim Conference on Magnetism (SCM 2013), Frankfurt, Germany.29.09. - 03.10.2013.

233 Kirschner, J., F. O. Schumann, R. Feder, H. Gollisch, and F. Giebels.The exchange-correlation hole in ultrathin magnetic layers: Size and spin-dependence.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 07.09.2013.

234 Kirschner, J., F. O. Schumann, C. Winkler, F. Giebels, H. Gollisch, and R. Feder.Spin-dependent two-electron emission from ferromagnetic Fe(001).Physikalisches Kolloquium, Forschungszentrum Jülich, Peter Grünberg Institut, Jülich,Germany.25.01.2013.

235 Kirschner, J.Advances in electron spin polarimetry.The joint NSFC-JSPS seminar, Shanghai, PR China.21. - 25.10.2013.

236 Kirschner, J.Excitation and relaxation of terahertz magnons by spin-polarized electrons.International Symposium on Spin Waves, St. Petersburg, Russia.09. - 15.06.2013.

237 Kirschner, J.Experiments on the exchange-correlation hole in solids.Taiwan National University, Department of Physics, Taipeh, Taiwan.11.03.2013.

238 Kirschner, J.Experiments on the exchange-correlation hole in the near-surface region.8th Brazilian-German Workshop on Applied Surface Science, Bamberg, Germany.15. - 20.09.2013.

239 Kirschner, J.Nanomagnetism.Physikalisches Kolloquium, Universität Kassel, Experimentalphysik IV, Kassel, Germany.14.02.2013.

240 Krieger, K.Real time propagation of solids.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

241 Lee, J. H., A. Bhatnagar, Y. H. Kim, D. Hesse, and M. Alexe.Tuning domain wall conductivity in BiFeO3 thin films.Leverhulme Workshop on Oxide Nanoferroics, Banyalbufar, Spain.09. - 12.01.2013.

99

Invited lectures Publications and presentations

242 Lee, J. H., A. Bhatnagar, Y. H. Kim, D. Hesse, and M. Alexe.Tuning of conduction at domain walls of BiFeO3 thin films.Electronic Materials and Applications Conference 2013 (EMA 2013), Orlando, USA.23. - 25.01.2013.

243 Linscheid, A.Practical aspects and spin within SCDFT.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

244 Mertig, I.From quantum mechanis to spintronics.Berliner Physikalisches Kolloquium, Magnus-Haus, Berlin, Germany.07.02.2013.

245 Mertig, I.Magnetoelectric coupling at multiferroic interfaces.510th Wilhelm and Else Heraeus Seminar “Non-Magnetic Control of Spin: Funda-mental Physics and Materials Design”, Bad Honnef, Germany.07. - 09.01.2013.

246 Mertig, I.Spin Hall and spin Nernst effect.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013.

247 Mertig, I.Spin Hall and spin Nernst effect.Physikalisches Kolloquium, Technische Universität Wien, Institut für Physik, Vienna,Austria.05.03.2013.

248 Mertig, I.Spin Hall and spin Nernst effect.Kolloquium, Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden, Dres-den, Germany.29.04.2013.

249 Mertig, I.Spin Hall and spin Nernst effect.KITP Conference “Concepts in Spintronics”, Santa Barbara, USA.30.09. - 04.10.2013.

250 Mertig, I.Transport through atoms and molecules.543rd Wilhelm and Else Heraeus Seminar “Electron Transport through Atoms,Molecules and Nanowires: Advances in Theory and Experiments”, Bad Honnef, Ger-many.28. - 30.10.2013.

100

Publications and presentations Invited lectures

251 Meyerheim, H. L., A. Ernst, K. Mohseni, I. V. Maznichenko, S. Ostanin, F. Klimenta,N. Jedrecy, W. Feng, I. Mertig, R. Felici, and J. Kirschner.The BaTiO3(001)-(2x1) reconstruction: Structure and magnetism.21st Annual Conference of the German Crystallographic Society (DGK), Freiburg, Ger-many.19. - 22.03.2013.

252 Meyerheim, H. L., A. Ernst, K. Mohseni, I. V. Maznichenko, S. Ostanin, F. Klimenta,N. Jedrecy, W. Feng, I. Mertig, R. Felici, and J. Kirschner.Surface structure and magnetism in BaTiO3(001) (2x1).V Euro-Asian Symposium “Trends in MAGnetism”: Nanomagnetism (EASTMAG-2013), Vladivostok, Russia.15. - 21.09.2013.

253 Meyerheim, H. L.X-ray structure analysis of BaTiO3/Me(001) interfaces (Me=Fe, Pd, Pt).6th European School on Multiferroics, Lutherstadt Wittenberg, Germany.21. - 26.07.2013.

254 Mirhosseini, H., M. Flieger, and J. Henk.Dirac-cone-like surface state in W(001).Westfälische Wilhelms-Universität Münster, Physikalisches Institut, Münster, Germany.10.01.2013.

255 Naumann, V., D. Lausch, A. Graff, A. Hähnel, J. Bauer, O. Breitenstein, S. Swatek,M. Werner, S. Großer, J. Bagdahn, and C. Hagendorf.Towards a physical model for potential-induced degradation (PID) of Si solar cells.3rd International Conference on Crystalline Silicon Photovoltaics (SiliconPV), Hameln,Germany.25. - 27.03.2013.

256 Odashima, M. A.Chirality-dependent magnon lifetimes in a half-metallic antiferromagnet.Universidade Federal Fluminense, Instituto de Fìsica, Niterói, Brazil.04.06.2013.

257 Oka, H., P. A. Ignatiev, S. Wedekind, G. Rodary, L. Niebergall, V. S. Stepanyuk,D. Sander, and J. Kirschner.Spin-dependent quantum interference in a single magnetic nanostructure.Annual Meeting of the Physical Society of Japan, Tokushima, Japan.25. - 28.09.2013.

258 Pantel, D., S. Goetze, D. Hesse, and M. Alexe.Reversible electrical switching of spin polarization in multiferroic tunnel junctions.2012 Workshop on Innovative Nanoscale Devices and Systems (WINDS 2012), KohalaCoast, USA.02. - 07.12.2012.

259 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Quantitative insights into nanomagnetism with subnanometer resolution by spin-polarized scanning tunneling spectroscopy.Korean Physical Society Meeting (KPS 2013), Changwon, Korea.30.10. - 01.11.2013.

101

Invited lectures Publications and presentations

260 Przybylski, M.AFM/FM: Perpendicular exchange coupling.AGH University of Science and Technology, Solid State Physics Department, Faculty ofPhysics and Applied Computer Science, Krakow, Poland.05.03.2013.

261 Przybylski, M.Controlling magnetic anisotropy.5th Seeheim Conference on Magnetism (SCM 2013), Frankfurt, Germany.26.09. - 03.10.2013.

262 Przybylski, M.Controlling magnetic anisotropy via interface exchange coupling.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013.

263 Przybylski, M.Controlling magnetic anisotropy via the density of states at the Fermi level.XVI National Conference on Superconductivity, Zakopane, Poland.08. - 12.10.2013.

264 Przybylski, M.From nanometers to femtoseconds: Limits to technology.AGH University of Science and Technology, Solid State Physics Department, Krakow,Poland.04.10.2013.

265 Przybylski, M.Magnetic anisotropy and domain structure as seen by spin-polarized low energy elec-tron microscopy (SP-LEEM).AGH University of Science and Technology, Solid State Physics Department, Faculty ofPhysics and Applied Computer Science, Krakow, Poland.10.04.2013.

266 Przybylski, M.Magnetic anisotropy, exchange bias effect and orthogonal spin configuration inFM/AFM bilayers.International Multidisciplinary Joint Meeting “Nano Science and Condensed MatterPhysics”, Morelia Michoacan, Mexico.13. - 17.05.2013.

267 Przybylski, M.X-ray resonant magnetic reflectivity and magnetization profile in thin Fe films.AGH University of Science and Technology, Solid State Physics Department, Faculty ofPhysics and Applied Computer Science, Krakow, Poland.09.04.2013.

268 Reiche, M.Dislocation-based Si-nanodevices.6th International Symposium on Advanced Science and Technology of Silicon Materi-als, Kona, USA.19. - 23.11.2012.

102

Publications and presentations Invited lectures

269 Rißland, S. and O. Breitenstein.Evaluation of luminescence images of solar cells for injection-level dependent life-times.Fraunhofer-Institut für Solare Energiesysteme (ISE), Freiburg, Germany.19.03.2013.

270 Sander, D., H. Oka, S. Ouazi, M. Corbetta, O. O. Brovko, G. Rodary, P. A. Ignatiev,L. Niebergall, V. S. Stepanyuk, and J. Kirschner.New insights into nanomagnetism by spin-polarized scanning tunneling microscopyand spectroscopy.Workshop “SPM for the study of quantum materials”, Vancouver, Canada.28. - 30.06.2013.

271 Sander, D., H. Oka, S. Ouazi, M. Corbetta, O. O. Brovko, G. Rodary, P. A. Ignatiev,L. Niebergall, V. S. Stepanyuk, and J. Kirschner.New insights into nanomagnetism by spin-polarized scanning tunneling microscopyand spectroscopy.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013.

272 Sander, D., H. Oka, S. Ouazi, M. Corbetta, O. O. Brovko, G. Rodary, P. A. Ignatiev,L. Niebergall, V. S. Stepanyuk, and J. Kirschner.New insights into nanomagnetism by spin-polarized scanning tunneling microscopyand spectroscopy.8th International Symposium on Metallic Multilayers (MML 2013), Kyoto, Japan.19. - 24.05.2013.

273 Sander, D.New insights into nanomagnetism by spin-STM.Max-Planck-Institut für Festkörperphysik, Stuttgart, Germany.10.07.2013.

274 Sander, D.Stress on the atomic scale: From epitaxial misfit stress to magnetostriction of atomiclayers.Institut des NanoSciences de Paris - INSP, Paris, France.20.06.2013.

275 Sanna, A.Superconductivity.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

276 Schumann, F. O.Electron correlation spectroscopy on magnetic surfaces.AVS 60th International Symposium, Long Beach, USA.27.10. - 01.11.2013.

277 Sharma, S., J. K. Dewhurst, and E. K. U. Gross.Spectrum and phase transition in Mott insulators within RDMFT.Workshop “Recent Progress in Dynamical Mean-field Theory and GW Calculations,and Hands-On School on Full-Potential LMTO Method (RSPt Code)”, Strasbourg,

103

Invited lectures Publications and presentations

France.17. - 20.12.2012.

278 Sharma, S., J. K. Dewhurst, A. Sanna, and E. K. U. Gross.Bootstrap approximation for exchange-correlation kernel of TD-DFT.Meeting on Optical Response in Extended Systems (MORE 2012), Vienna, Austria.14. - 16.11.2012.

279 Sharma, S., J. K. Dewhurst, A. Sanna, and E. K. U. Gross.Bootstrap approximation for exchange-correlation kernel of TD-DFT.Indian Institute of Technology Roorkee, Department of Physics, Roorkee, India.15.01.2013.

280 Sharma, S., J. K. Dewhurst, A. Sanna, and E. K. U. Gross.Excitons in solids captured with bootstrap approximation for the exchange-correlationkernel of time-dependent density functional theory.Workshop “Frontiers in Modelling Optical Excitations of Materials”, Chicheley, UK.04. - 06.09.2013.

281 Sharma, S., K. Krieger, J. K. Dewhurst, and E. K. U. Gross.Time propagation in extended systems: Demagnetization by light.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013.

282 Sharma, S.Calculation of response functions within Elk.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

283 Sharma, S.Excitons in solids captured with bootstrap approximation for the exchange-correlationkernel of time-dependent density functional theory.Conference on Electronic Structure Approaches to Atoms, Molecules, Clusters andSolids, Hyderabad, India.07. - 11.01.2013.

284 Sharma, S.Reduced density matrix functional theory for strong correlations.Karlsruher Institut für Technology, Institut für Theorie der Kondensierten Materie, Karls-ruhe, Germany.21.10.2013.

285 Sharma, S.Spin and magnetism.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

286 Sharma, S.TDDFT in extended systems: Linear Response and beyond.Karlsruher Institut für Technology, Institut für Nanotechnologie, Karlsruhe, Germany.22.10.2013.

104

Publications and presentations Invited lectures

287 Stepanyuk, V. S.The effect of the electric fields on magnetism.APS March Meeting, Baltimore, USA.18. - 22.03.2013.

288 Tandetzky, F., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.Multiple solutions of GW-type approximations.CECAM Workshop “Green’s Function Methods: The Next Generation”, Toulouse,France.04. - 07.06.2013.

289 Tandetzky, F.EFG of Hedin’s equation.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013.

290 Tonkikh, A. A.Ge(Si)Sn alloys: Towards all-group-IV direct band gap material.Max Born Institute, Berlin, Germany.24.10.2013.

291 Tusche, C.Efficient spin-resolved photoelectron microscopy and bandstructure mapping.Freie Universität Berlin, Fachbereich Physik, Berlin, Germany.07.12.2012.

292 Tusche, C.Spin dependent correlation effects in the band structure of cobalt measured by spinpolarized momentum microscopy.Forschungszentrum Jülich, Jülich, Germany.09.04.2013.

293 Wei, Z.Core-resonant coincidence spectroscopy from surfaces.University of Science and Technology of China, Hefei, PR China.22.09.2013.

294 Winkelmann, A., M. Vos, F. Salvat-Pujol, and W. S. M. Werner.Local crystallographic information in Kikuchi patterns of backscattered electrons: Ex-periments and simulations.National Institute for Standards and Technology, Gaithersburg, USA.15.08.2013.

295 Winkelmann, A.Local crystallographic information in Kikuchi patterns of backscattered electrons.Ohio State University, Columbus, USA.13.08.2013.

296 Zakeri Lori, K., Y. Zhang, T.-H. Chuang, and J. Kirschner.Magnetic excitations in ultrathin ferromagnetic films: The role of spin-orbit coupling.Conference “Computation meets experiment: KKR Green’s Functions for calculationsof spectroscopic, transport and magnetic properties”, Warwick, UK.13. - 15.07.2013.

105

Contributed presentations Publications and presentations

297 Zakeri Lori, K.Magnon Rashba effect at ferromagnetic surfaces.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013.

298 Zakeri Lori, K.Spin-dynamics in magnetic nanostructures.Advanced Nanomagnetism Workshop, Isfahan, Iran.24. - 25.04.2013.

299 Zakeri Lori, K.Tailoring magnetic excitations in low-dimensional ferromagnets.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013.

Contributed presentations

300 Abedi Khaledi, A., F. Agostini, Y. Suzuki, and E. K. U. Gross.Exact factorization of the time-dependent electron-nuclear wave function.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

301 Achilles, S., V. V. Maslyuk, L. M. Sandratskii, M. Brandbyge, and I. Mertig.Altering thermopower by magnetic fields.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

302 Agostini, F., A. Abedi Khaledi, and E. K. U. Gross.Exact factorization of the time-dependent electron-nuclear wave function: A mixedquantum-classical study.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

303 Agostini, F., A. Abedi Khaledi, S. K. Min, and E. K. U. Gross.Exact factorization of the time-dependent electron-nuclear wave function: A mixedquantum-classical study.CECAM Workshop “Vibrational coupling: most important, often ignored, and a chal-lenge for ab-initio theory”, Lausanne, Switzerland.06. - 09.11.2012, Poster.

304 Agostini, F., A. Abedi Khaledi, S. K. Min, and E. K. U. Gross.Mixed quantum-classical dynamics for non-adiabatic processes: A novel perspectivefrom the exact factorization of the electron-nuclear wave-function.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

106

Publications and presentations Contributed presentations

305 Agostini, F.Studies on the exact decomposition of electronic and nuclear motion.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

306 Agostini, F.Studies on the exact decomposition of electronic and nuclear motion.Gordon-Kenan Research Seminar on Time-Dependent Density-Functional Theory,Biddeford, USA.10. - 11.08.2013, Poster.

307 Agostini, F.Studies on the exact decomposition of electronic and nuclear motion.Gordon-Kenan Research Seminar on Time-Dependent Density-Functional Theory,Biddeford, USA.10. - 11.08.2013, Talk.

308 Aleshkin, V. Y., A. A. Dubinov, M. N. Drozdov, B. N. Zvonkov, K. E. Kudryavtsev, V. V.Rumyantsev, A. A. Tonkikh, and P. Werner.Observation of direct band gap luminescence in Ge quantum wells.XI Russian Conference on Physics of Semiconductors, St. Petersburg, Russia.16. - 20.09.2013, Poster.

309 Alexe, M., D. Hesse, and D. Preziosi.Modulation of transport and magnetism in La0.825Sr0.175MnO3 thin films induced viaferroelectric switching.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

310 Azimi, M., L. Chotorlishvili, S. Mishra, S. Greshner, T. Vekua, and J. Berakdar.Quantum information processing in 1D multiferroic chain.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.22. - 26.07.2013, Poster.

311 Baydakova, N. A., A. V. Novikov, D. N. Lobanov, D. A. Pryakhin, A. A. Tonkikh, andP. Werner.The impact of blocking layers on electroluminescence of Ge(Si)/Si(001) nanoislands.XVII International Symposium Nanophysics and Nanoelectronics, Nizhnii Novgorod,Russia.11. - 15.03.2013, Poster.

312 Bayerlein, B., H. Blumtritt, I. Zlotnikov, and P. Fratzl.Nanomechanical characterization of the prismatic layer in the mollusc shell pinna no-bilis.Nanomechanical Testing in Materials Research and Development IV, Albufeira, Portu-gal.06. - 11.10.2013, Poster.

313 Bayreuther, G., B. Endres, M. Ciorga, M. Schmid, M. Utz, D. Bougeard, D. Weiss, andC. H. Back.A spin solar cell for efficient spin injection into semiconductors.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Talk.

107

Contributed presentations Publications and presentations

314 Bayreuther, G., R. Meier, and W. Kipferl.Curie temperature of epitaxial nanomagnets.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Poster.

315 Behnke, L., F. O. Schumann, and J. Kirschner.Electron pair emission from Ag(100).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

316 Bern, F., M. Ziese, and I. Vrejoiu.Magnetic order at La0.7Sr0.3MnO3/ruthenate interfaces.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

317 Bertram, K., B. Fuhrmann, N. Geyer, A. A. Tonkikh, N. Wollschläger, P. Werner,M. Trutschel, and H. S. Leipner.Thermal conductivity of SiGe-based nanostructures.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

318 Bertram, K., B. Fuhrmann, N. Geyer, A. A. Tonkikh, N. Wollschläger, P. Werner, andH. S. Leipner.Measurement of the thermal conductivity of Si-Ge-based nanostructures.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

319 Bertram, K., B. Fuhrmann, N. Geyer, A. A. Tonkikh, N. Wollschläger, P. Werner,M. Trutschel, and H. S. Leipner.Thermal conductivity of SiGe-based nanostructures.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.27. - 31.05.2013, Talk.

320 Bhatnagar, A., J. H. Lee, Y. H. Kim, A. R. Chaudhuri, D. Hesse, and M. Alexe.Anomalous photovoltaic effect in BiFeO3.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.28. - 30.05.2013, Talk.

321 Bhatnagar, A., J. H. Lee, Y. H. Kim, D. Hesse, and M. Alexe.Anomalous photovoltaic effect in BiFeO3.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

322 Bhatnagar, A., J. H. Lee, Y. H. Kim, A. Roy Chaudhuri, D. Hesse, and M. Alexe.Anomalous photovoltaic effect in BiFeO3.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

323 Blumtritt, H., P. Werner, Y. Politi, I. Zlotnikov, and P. Fratzl.FIB preparations of biogenic materials.8 FIB Workshop D-A-CH, Unterpremstätten, Austria.24. - 25.06.2013, Poster.

108

Publications and presentations Contributed presentations

324 Boni, A. G., L. Pintilie, I. Pintilie, D. Preziosi, M. Alexe, and D. Hesse.Conduction mechanism in LSMO-ferroelectric-LSMO heterostructures.European Congress and Exhibition on Advanced Materials and Processes (EUROMAT2013), Sevilla, Spain.08. - 13.09.2013, Talk.

325 Borisov, V. S., S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig.Magnetoelectric properties of the Co/PZT (001) interface studied from first principles.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.22.07. - 26.02.2013, Poster.

326 Borisov, V. S., S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig.Magnetoelectric properties of the Co/PZT (001) interface studied from first principles.Research Conference: Computation Meets Experiment, Coventry, UK.13. - 15.07.2013, Poster.

327 Borisov, V. S., S. Ostanin, I. V. Maznichenko, A. Ernst, and I. Mertig.Transport properties of multiferroic interfaces studied from first principles.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

328 Borisov, V. S., S. Ostanin, and I. Mertig.Magnetoelectric coupling at the n-doped interface BaTiO3/SrTcO3.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

329 Böttcher, D. and J. Henk.Magnetic properties of strained La2/3Sr1/3MnO3 perovskites from first principles.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013, Poster.

330 Böttcher, D. and J. Henk.Magnetic systems at elevated temperatures by relativistic disordered local momentstheory.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

331 Böttcher, D. and J. Henk.Temperature dependence of nutation in magnetic nanostructures.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

332 Brandt, I. S., F. O. Schumann, Z. Wei, and J. Kirschner.Emission of correlated positron-electron pairs from surfaces.8th Brazilian-German Workshop on Applied Surface Science, Bamberg, Germany.15. - 20.09.2013, Poster.

333 Brandt, I. S., Z. Wei, F. O. Schumann, and J. Kirschner.Emission of correlated positron-electron pairs from surfaces.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

109

Contributed presentations Publications and presentations

334 Breitenstein, O., J. Carstensen, A. Schütt, and J.-M. Wagner.Comparison of local solar cell efficiency analysis performed by DLIT and CELLO.28th European Photovoltaic Solar Energy Conference and Exhibition (28 EU PVSEC2013), Paris, France.30.09. - 04.10.2013, Poster.

335 Breitenstein, O., C. Shen, H. Kampwerth, and M. A. Green.Comparison of DLIT- and PL-based local solar cell efficiency analysis.3rd International Conference on Crystalline Silicon Photovoltaics (SiliconPV), Hameln,Germany.25. - 27.03.2013, Poster.

336 Breitenstein, O.Lock-in thermography based local efficiency analysis of solar cells.38th International Symposium for Testing and Failure Analysis (ISTFA), Phoenix, USA.11. - 15.11.2012, Talk.

337 Breitenstein, O.Nondestructive local analysis of the efficiency of solar cells by lock-in thermography.BMU Wissenschaftstage Photovoltaik, Berlin, Germany.27. - 28.11.2012, Poster.

338 Brovko, O. O., T. R. Dasa, P. Ruiz Diaz, and V. S. Stepanyuk.Tailoring magnetic properties at the atomic scale by non-magnetic means.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

339 Brovko, O. O., W. Feng, H. L. Meyerheim, V. S. Stepanyuk, and J. Kirschner.Mesoscopic relaxations in homoepitaxial systems and their effect on oxygen adsorp-tion.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

340 Cangi, A.Electronic structure from potential functional theory.Gordon-Kenan Research Seminar on Time-Dependent Density-Functional Theory,Biddeford, USA.10. - 11.08.2013, Poster.

341 Cangi, A.Electronic structure from potential functional theory.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

342 Cangi, A.Electronic structure from potential functional theory.Workshop on Semiclassical Origins of Density Functional Approximantion, Universityof California, Los Angeles, Institute for Pure and Applied Mathematics, Los Angeles,USA.04. - 06.09.2013, Talk.

110

Publications and presentations Contributed presentations

343 Chiang, C.-T., M. Huth, A. Blättermann, J. Kirschner, and W. Widdra.Development of a Megahertz high-harmonic light source for time-of-flight photoemis-sion spectroscopy.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

344 Chiang, C.-T., M. Huth, M. Kiel, A. Blättermann, J. Kirschner, and W. Widdra.Development of a compact high-order harmonic light source at Megahertz repetitionrate for time-of-flight photoemission spectroscopy.Winter School on Ultrafast Processes in Condensed Matter (WUPCOM 2013), Reit imWinkl, Germany.25.02. - 02.03.2013, Talk.

345 Chuang, T.-H., K. Zakeri Lori, A. Ernst, L. M. Sandratskii, P. Buczek, Y. Zhang, H. J. Qin,W. Adeagbo, W. Hergert, and J. Kirschner.Impact of atomic structure on the magnon dispersion relation: Fe(111)/Au/W(110) andFe(110)/W(110).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

346 Corbetta, M., S.-H. Phark, J. A. Fischer, S. Ouazi, D. Sander, and J. Kirschner.The impact of Fe decoration on magnetism and electronic properties of Co nanoislandson Cu(111).Donostia International Conference on Nanoscaled Magnetism & Applications (ICNMA2013), San Sebastian, Spain.08. - 13.09.2013, Talk.

347 Corbetta, M., S.-H. Phark, J. A. Fischer, D. Sander, and J. Kirschner.Temperature-dependent measurements of the differential conductance with Fe-coated W tips.Joint European Magnetic Symposia 2013 (JEMS), Rhodes, Greece.25. - 30.08.2013, Poster.

348 Corbetta, M., O. P. Polyakov, O. V. Stepanyuk, H. Oka, A. M. Saletsky, D. Sander, V. S.Stepanyuk, and J. Kirschner.Spin-dependent Smoluchowski effect.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

349 Corbetta, M., O. P. Polyakov, O. V. Stepanyuk, H. Oka, A. M. Saletsky, D. Sander, V. S.Stepanyuk, and J. Kirschner.Spin-dependent Smoluchowski effect.Joint European Magnetic Symposia 2013 (JEMS), Rhodes, Greece.25. - 30.08.2013, Talk.

350 Dabrowski, M., A. K. Schmid, M. Przybylski, and J. Kirschner.Domain structure in the vicinity of a spin reorientation transition.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

111

Contributed presentations Publications and presentations

351 Dasa, T. R. and V. S. Stepanyuk.Tailoring magnetic properties of thin films with quantum well states and external elec-tric field.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

352 Davydov, A., A. Sanna, S. Sharma, J. K. Dewhurst, and E. K. U. Gross.Coulomb interaction in Eliashberg theory of superconductivity.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013, Poster.

353 Davydov, A. and A. Sanna.Coulomb interaction in Eliashberg theory of superconductivity.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

354 Deniz, H., A. Bhatnagar, E. Pippel, M. Alexe, and D. Hesse.Transmission electron microscopy study of defects in BiFeO3 thin films.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

355 Deniz, H., A. Bhatnagar, E. Pippel, M. Alexe, and D. Hesse.Transmission electron microscopy study of defects in BiFeO3 thin films.Microscopy Conference 2013 (MC 2013), Regensburg, Germany.25. - 30.08.2013, Poster.

356 Dewhurst, J. K., K. Krieger, S. Sharma, and E. K. U. Gross.Time-dependent density-functional theory for quantum electro-dynamics.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

357 Dewhurst, J. K., S. Sharma, and E. K. U. Gross.Real-time-evolution in solids on the attosecond time scale.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

358 Di Filippo, G., M. I. Trioni, G. Fratesi, F. O. Schumann, Z. Wei, C.-H. Li, L. Behnke,S. Patil, J. Kirschner, and G. Stefani.The L23VV Auger spectrum of Cu(001)p(2,2)-S studied by Auger PhotoElectron Coin-cidence Spectroscopy.38th International Conference on Vacuum Ultraviolet and X-ray Physics, Hefei, PRChina.12. - 19.07.2013, Talk.

359 Elliott, P., K. Krieger, J. K. Dewhurst, S. Sharma, and E. K. U. Gross.Real time TDDFT unsing the Elk code.Gordon-Kenan Research Seminar on Time-Dependent Density-Functional Theory,Biddeford, USA.10. - 11.08.2013, Poster.

112

Publications and presentations Contributed presentations

360 Elliott, P., K. Krieger, J. K. Dewhurst, S. Sharma, and E. K. U. Gross.Real time TDDFT using the Elk code.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

361 Erfurth, W., A. Thompson, and N. Ünal.Electron dose reduction through improved adhesion by cationic organic material withHSQ resist on an InGaAs multilayer system on GaAs substrate.SPIE 2013 Advanced Lithography, San Jose, USA.23. - 27.02.2013, Talk.

362 Erfurth, W. and A. Thompson.Improved adhesion by surfscan for 30nm HSQ column arrays on an InGaAs/GaAsmultilayer system.Workshop GenISys, San Jose, USA.28.02.2013, Talk.

363 Erfurth, W.Improved adhesion by SurPass for 30nm HSQ column arrays on an InGaAs/GaAs mul-tilayer system.Technical Workshop GenISys, Freiburg, Germany.14.03.2013, Talk.

364 Essenberger, F., A. Sanna, P. Buczek, A. Linscheid, A. Ernst, and L. M. Sandratskii.Spin fluctuation pairing mechanism in SCDFT.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

365 Etesami, S. R.Theoretical modeling of longitudinal spin Seebeck effect.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

366 Fedorov, D. V., M. Gradhand, S. Ostanin, I. V. Maznichenko, A. Ernst, J. Fabian, andI. Mertig.Ab initio study of the momentum and spin relaxation time in graphene.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

367 Fedorov, D. V., M. Gradhand, S. Ostanin, I. V. Maznichenko, A. Ernst, J. Fabian, andI. Mertig.Impurity-induced spin relaxation time in graphene from first principles.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

368 Fina, I., X. Marti, D. Yi, C. Rayan-Serrao, J. Liu, J.-H. Chu, S. J. Suresha, J. Zelezny,T. Jungwirth, J. Fontcuberta, and R. Ramesh.Antiferromagnetic spintronics.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

113

Contributed presentations Publications and presentations

369 Fina, I., X. Marti, D. Yi, C. Rayan-Serrao, J. Liu, J.-H. Chu, S. J. Suresha, J. Zelezny,T. Jungwirth, J. Fontcuberta, and R. Ramesh.Antiferromagnetic spintronics.European Materials Research Society Fall Meeting (E-MRS), Warsaw, Poland.16. - 20.09.2013, Talk.

370 Fischer, J. A., M. Corbetta, S.-H. Phark, S. Ouazi, D. Sander, and J. Kirschner.The effect of Fe decoration on magnetism and electronic properties of Co nanoislandson Cu(111).International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Talk.

371 Fischer, J. A., M. Corbetta, S.-H. Phark, D. Sander, and J. Kirschner.Superparamagnetic response of Fe-coated W tips in spin-polarized scanning tunnelingmicroscopy.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Poster.

372 Fischer, J. A., S.-H. Phark, M. Corbetta, D. Sander, and J. Kirschner.Superparamagnetic response of Fe-coated W tips in spin-polarized scanning tunnelingmicroscopy.8th Brazilian-German Workshop on Applied Surface Science, Bamberg, Germany.15. - 20.09.2013, Talk.

373 Fischer, J. A., S.-H. Phark, M. Corbetta, D. Sander, and J. Kirschner.Decoration of Co island edges on Cu(111) by Fe.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

374 Fischer, J. A., S.-H. Phark, M. Corbetta, D. Sander, and J. Kirschner.Modifying the spin-dependent electronic properties of a Co nanoisland by Fe decora-tion.5th Seeheim Conference on Magnetism (SCM 2013), Frankfurt, Germany.29.09. - 03.10.2013, Talk.

375 Fischer, J. A., S.-H. Phark, M. Corbetta, D. Sander, and J. Kirschner.Superparamagnetic response of Fe-coated W tips in spin-polarized scanning tunnelingmicroscopy.8th Brazilian-German Workshop on Applied Surface Science, Bamberg, Germany.15. - 20.09.2013, Poster.

376 Flores Livas, J. A.Designing new superhard magnets from first principles.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013, Poster.

377 Frank, S. and D. Jacob.Absorbing boundary conditions for nanoscale spintronic devices.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

114

Publications and presentations Contributed presentations

378 Garcia Vergniory, M., D. Böttcher, M. Hoffmann, I. V. Maznichenko, O. J. Otrokov,S. Ostanin, M. Geilhufe, J. Henk, I. Mertig, E. V. Chulkov, and A. Ernst.Long-range exchange interaction in binary topological insulators.Workshop “New Trends on Topological Insulators”, Sant Feliu de Guíxols, Spain.03. - 06.06.2013, Poster.

379 Garcia Vergniory, M., M. A. L. Marques, S. Botti, M. Amsler, S. Goedecker, I. Valencia,A. Sanna, E. V. Chulkov, A. Ernst, and A. H. Romero Castro.Crystal structure prediction and electronic properties of Li-based ternary compounds.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

380 Garcia Vergniory, M., D. Thonig, M. Hoffmann, I. V. Maznichenko, M. M. Otrokov,X. Zubizarreta Iriarte, J. Henk, I. Mertig, E. V. Chulkov, and A. Ernst.Exchange interaction and its tuning in magnetic binary chalcogenides.30th Brandt Ritchie Workshop, San Sebastian, Spain.30.09. - 06.10.2013, Talk.

381 Garcia Vergniory, M., X. Zubizarreta Iriarte, M. M. Otrokov, I. V. Maznichenko, J. Henk,E. V. Chulkov, and A. Ernst.Exotic magnetic properties of diluted magnetic binary chalcogenides.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

382 Garcia Vergniory, M., X. Zubizarreta Iriarte, M. M. Otrokov, I. V. Maznichenko, J. Henk,E. V. Chulkov, and A. Ernst.Exotic magnetic properties of diluted magnetic binary chalcogenides.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

383 Gastelois, P. L., W. A. A. Macedo, P. Kuswik, M. Przybylski, and J. Kirschner.Effect of CoO/Ni exchange coupling on perpendicular magnetization of Ni films onPd(001).XXXVI Encontro de Física da Matería Condensada, Águas de Lindóia, Brazil.13. - 17.05.2013, Talk.

384 Gich, M., I. Fina, A. Morelli, F. Sánchez, M. Alexe, J. Fontcuberta, and A. Roig.Ferroelectric and magnetodielectric properties of AlFeO3 and AlFeO3/ǫ-Fe2O3 thinfilms at room temperature.European Materials Research Society Fall Meeting (E-MRS), Warsaw, Poland.16. - 20.09.2013, Talk.

385 Givan, U., G. Sarau, S. Senz, O. Moutanabbir, S. H. Christiansen, and P. Werner.Mass production of vapor-liquid-solid grown silicon nanowires.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.27. - 31.05.2013, Talk.

386 Givan, U., G. Sarau, H. Blumtritt, O. Moutanabbir, S. H. Christiansen, and P. Werner.Wafer scale growth of isotopically purified polytype silicon nanowires and polymorphs.International Conference on One-Dimensional Nanomaterials, Annecy, France.23. - 26.09.2013, Talk.

115

Contributed presentations Publications and presentations

387 Glawe, H., A. Sanna, E. K. U. Gross, K. T. Schütt, F. Brockherde, and K. R. Müller.Fast prediction of electronic properties in crystals by machine learning.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

388 Golrokh Bahoosh, S., A. T. Apostolov, I. N. Apostolova, S. Trimper, and J. M. Wesseli-nowa.The theoretical study of multiferroism in Zn1−xMxO thin films (M = Mg, Co, Cr).International Conference on Nanoscale Magnetism (ICNM-2013), Istanbul, Turkey.02. - 06.09.2013, Poster.

389 Golrokh Bahoosh, S., S. Trimper, and J. M. Wesselinowa.Extended Heisenberg model for asymmetric zigzag structures in RMn2O5.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

390 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.The effect of ion doping on multiferroic MnWO4.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

391 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.The magnetoelectric effect and phonon properties in double-perovskite structure.Hands-on Workshop on Density Functional Theory and Beyond: Computational Ma-terials Science for Real Materials, Trieste, Italy.06. - 15.08.2013, Poster.

392 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.Multiferrocity in doped and undoped BaTiO3 nanoparticles.Joint European Magnetic Symposia (JEMS 2013), Rhodes, Greece.25. - 30.08.2013, Poster.

393 Golrokh Bahoosh, S., J. M. Wesselinowa, and S. Trimper.The origin of magnetism in perovskite ferroelectric ABO3 nanoparticles (A = K, Li; B= Ta, Nb or A = Ba, Sr, Pb; B = Ti).6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.22. - 26.07.2013, Poster.

394 Hagendorf, C., V. Naumann, D. Lausch, S. Großer, J. Bagdahn, A. Graff, J. Bauer,A. Hähnel, and O. Breitenstein.The origin of shunting in potential induced degradation of C-Si cells and modules.7th International Photovoltaic Power Generation Conference and Exhibition (SNEC),Shanghai, PR China.15. - 16.05.2013, Talk.

395 Hagendorf, C., V. Naumann, D. Lausch, A. Hähnel, J. Bauer, O. Breitenstein, M. Werner,S. Swatek, and J. Bagdahn.Origins of PID on solar cells.23rd Workshop on Crystalline Silicon Solar Cells & Modules: Materials and Processes,Breckenridge, USA.28. - 31.07.2013, Talk.

116

Publications and presentations Contributed presentations

396 Hartmann, G., M. Braune, T. Lischke, A. Meissner, A. Knie, A. Ehresmann, M. Ilchen,O. Al-Dossary, and U. Becker.Angular distribution effects in multi-photon ionization.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

397 Hartmann, G., M. Braune, A. Reinköster, S. Korica, T. Lischke, A. Meissner, B. Langer,A. Knie, A. Ehresmann, M. Ilchen, M. Stammer, O. Al-Dossary, and U. Becker.Recoil induced transition from coherent to randomly oriented target properties.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

398 Hentges, R., T. Lischke, G. Hartmann, B. Langer, A. Ehresmann, and U. Becker.The transition from coherent behavior to random order.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

399 Herschbach, C., D. V. Fedorov, M. Gradhand, and I. Mertig.Colossal spin Hall angle in ultrathin metallic films.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

400 Herschbach, C., D. V. Fedorov, M. Gradhand, and I. Mertig.Colossal spin Hall effect in ultrathin noble metal films.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

401 Herschbach, C., M. Gradhand, D. V. Fedorov, and I. Mertig.Extrinsic spin Hall effect in metallic films from first principles.520th Wilhelm and Else Heraeus Seminar “Spin-Orbit Driven Transverse TransportPhenomena”, Bad Honnef, Germany.03. - 06.12.2012, Poster.

402 Himcinschi, C., F. Johann, I. Vrejoiu, J. Kortus, and A. Talkenberger.Influence of substrate imposed strain on epitaxially grown BiFeO3 thin films investi-gated by Raman spectroscopy.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013, Poster.

403 Höfer, A., M. Fechner, C.-T. Chiang, M. Christl, I. Mertig, M. Alexe, and W. Widdra.Laser-excited photoemission imaging of the ferroelectric domain structure ofBaTiO3(001) and BiFeO3(001).6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013, Poster.

404 Hoffmann, M., V. S. Borisov, I. V. Maznichenko, S. Ostanin, I. Mertig, W. Hergert, andA. Ernst.Impact of oxygen vacancies on the magnetic properties of SrCoO3−δ.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen Physikalischen

117

Contributed presentations Publications and presentations

Gesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

405 Hoffmann, M., V. S. Borisov, I. V. Maznichenko, S. Ostanin, I. Mertig, W. Hergert, andA. Ernst.Impact of oxygen vacancies on the magnetic properties of SrCoO3−δ.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

406 Huth, M., C.-T. Chiang, J. Kirschner, and W. Widdra.Photon energy and polarization dependent photoemission from Ag(001) using a labo-ratory light source with time-of-flight setup.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

407 Ilchen, M., U. Becker, P. Decleva, M. Alkhaldi, M. Braune, S. Deinert, L. Glaser, G. Hart-mann, A. Knie, B. Langer, A. Meissner, F. Scholz, J. Seltmann, P. Walter, O. Al-Dossary,and J. Viefhaus.The effect of dimensionality in the photoionization of inversion symmetric systems.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

408 Jacob, D.Full ab initio descriptions of strong electronic correlations in molecular devices.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

409 Jal, E., J.-M. Tonnerre, M. Dabrowski, M. Przybylski, and J. Kirschner.Magnetization profile across bcc Fe films as seen by x-ray resonant magnetic reflectiv-ity.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

410 Keppner, J., C. Korte, J. Schubert, W. Zander, M. Ziegner, D. Hesse, and D. Stolten.Strain states in YSZ/Rare earth oxides RE2O3 (RE=Y, Gd, Er) multilayers as a functionof layer thickness and their effect on interfacial conductivity and diffusion.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

411 Keppner, J., C. Korte, J. Schubert, W. Zander, M. Ziegner, and D. Hesse.Analysis of strain states in YSZ/rare earth oxide multilayers and their effect on interfacialconductivity and diffusion.112th Annual German Conference on Physical Chemistry (Bunsentagung), Karlsruhe,Germany.09. - 11.05.2013, Talk.

412 Khosravi, E., A. Abedi Khaledi, A. Saenz, and E. K. U. Gross.Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface.

118

Publications and presentations Contributed presentations

Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Poster.

413 Khrebtov, A. I., G. E. Cirlin, V. G. Talalaev, I. V. Shtrom, A. D. Bourauleuv, Y. B. Samso-nenko, V. V. Danilov, A. S. Pafnutova, B. V. Novikov, and P. Werner.Composite system based on CdSe/ZnS quantum dots and GaAs nanowires.21st International Symposium “Nanostructures: Physics and Technology”, St. Peters-burg, Russia.24. - 28.06.2013, Talk.

414 Kim, Y. H., A. Bhatnagar, J. H. Lee, M. Alexe, E. Pippel, and D. Hesse.A transmission electron microscopy study on highly strained BiFeO3 thin films.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

415 Kim, Y. S., S. Jesse, X. L. Lu, D. Hesse, M. Alexe, and S. V. Kalinin.Level set method on 5D piezoresponse force microscopy data set for exploring ferro-electric domain wall motion.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

416 Kim, Y. S., X. L. Lu, S. Jesse, D. Hesse, M. Alexe, and S. V. Kalinin.Exploring spatially resolved ferroelectric switching dynamics in capacitors by 5Dpiezoresponse force microscopy.Materials Research Society Fall Meeting (MRS), Boston, USA.25. - 30.11.2012, Talk.

417 Kittler, M., M. Reiche, and T. Arguirov.1.55 µm light emitter based on dislocation D1-emission in silicon.28th Symposium on Microelectronics Technology and Devices (SbMicro 2013), Cu-ritiba, Brazil.02. - 06.09.2013, Talk.

418 Krasyuk, A., C. Tusche, G. Schönhense, and J. Kirschner.Twin-photoemission electron microscope.19th International Vacuum Congress (IVC-19), Paris, France.08.09. - 14.08.2013, Poster.

419 Kuswik, P., P. L. Gastelois, W. A. A. Macedo, M. Przybylski, and J. Kirschner.Effect of CoO/Ni exchange coupling on perpendicular magnetization of Ni films onPd(001).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

420 Kutnyakhov, D., P. Lushchyk, M. Kolbe, K. Medjanik, S. A. Nepijko, H. J. Elmers,C. Tusche, A. Krasyuk, J. Kirschner, F. Giebels, H. Gollisch, R. Feder, and G. Schön-hense.Imaging spin filter for electrons.8th International Workshop on LEEM/PEEM, Hong Kong SAR, PR China.11. - 15.11.2012, Poster.

119

Contributed presentations Publications and presentations

421 Lausch, D., V. Naumann, A. Hähnel, J. Bauer, O. Breitenstein, M. Werner, S. Swatek,C. Hagendorf, and J. Bagdahn.Potential-induced degradation (PID): Introduction of a novel test approach and rootcause analyses on solar-cell level.39th IEEE Photovoltaic Specialists Conference (39th PVSC), Tampa, USA.16. - 21.06.2013, Talk.

422 Lausch, D., V. Naumann, A. Hähnel, J. Bauer, S. Großer, O. Breitenstein, M. Werner,S. Swatek, and C. Hagendorf.Investigation of stacking faults responsible for potential-induced degradation (PID) ofsilicon solar cells.15th Gettering and Defect Engineering in Semiconductor Technology (GADEST), Ox-ford, UK.22. - 27.09.2013, Talk.

423 Lee, J. H., A. Bhatnagar, Y. H. Kim, D. Hesse, and M. Alexe.Controlling conductivity at domain walls in BiFeO3 thin films.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

424 Leipner, H. S., P. Werner, N. Geyer, K. Bertram, M. Trutschel, B. Fuhrmann, and A. A.Tonkikh.Silicon nanostructures for thermoelectric applications.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

425 Leon Vanegas, A. A., H. Oka, A. Stepniak, M. Caminale, D. Sander, and J. Kirschner.Superconductivity in Pb atomic layers and of Pb islands on Si(111).Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

426 Li, C.-H., C. Tusche, F. O. Schumann, and J. Kirschner.Electron pair emission from surfaces upon He2+ impact.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

427 Li, X., S. L. Schweizer, A. Sprafke, and R. B. Wehrspohn.A new route for the electroless fabrication of mesoporous silicon.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

428 Li, X.Nanowires from multi-crystalline Si for hydrogen generation.SPIE Solar Energy + Technology, San Diego, USA.27. - 29.08.2013, Poster.

429 Li, X.Silicon nanowires self-purified from metallurgical silicon: Cost-efficient wire processesutilizing dirty silicon for solar energy conversion.Materials Research Society Spring Meeting (MRS), San Francisco, USA.01. - 05.04.2013, Talk.

120

Publications and presentations Contributed presentations

430 Li, X.Upgraded silicon nanowires by metal-assisted etching of metallurgical silicon.International Nanophotonics and Nanoenergy Conference (INPC), Hefei, PR China.20. - 23.05.2013, Poster.

431 Linscheid, A., A. Sanna, and E. K. U. Gross.Spin density functional theory for superconductors.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

432 Lischke, T., B. Langer, R. Hentges, M. Braune, S. Korica, D. Rolles, A. Meissner, G. Hart-mann, R. Püttner, M. Ilchen, O. Kugeler, A. Knie, J. Viefhaus, A. Ehresmann, O. Al-Dossary, and U. Becker.Evidence of emitter site oscillations in dissociating core-excited oxygen.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Poster.

433 Makarenko, S. and S. Senz.Optimization of Schottky barrier for spin-injection.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

434 Manna, S., P. L. Gastelois, M. Dabrowski, P. Kuswik, M. Cinal, M. Przybylski, andJ. Kirschner.Quantum well states in Cu and oscillatory magnetic anisotropy in Cu/Fe and Cu/Cobilayers.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

435 Manna, S., M. Przybylski, and J. Kirschner.Scanning tunneling spectroscopy of quantum well states in thin Pd(001) films.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

436 Marmodoro, A., A. Ernst, and L. M. Sandratskii.Interplay of spin waves and electronic features: From a non-local DLM perspectivetowards a first-principles evaluation of magnon-electron coupling.CECAM Workshop “Green’s Function Methods: The Next Generation”, Toulouse,France.04. - 07.06.2013, Poster.

437 Marmodoro, A. and A. Ernst.Disorder effects in solid state systems beyond a single-site perspective: Theories andapplications.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

121

Contributed presentations Publications and presentations

438 Marmodoro, A. and A. Ernst.Disorder effects in solid state systems beyond a single-site perspective: Theories andapplications.16th International Workshop on Computational Physics and Materials Science: TotalEnergy and Force Methods, Trieste, Italy.10. - 12.01.2013, Poster.

439 Marmodoro, A.From electrons to magnons to electrons: Towards a first principles description ofmagnon-electron coupling effects.Workshop on Atomic-Scale Challenges in Advanced Materials (ASCAM VI), Turku, Fin-land.22. - 23.08.2013, Talk.

440 Marmodoro, A.From electrons to magnons to electrons: Towards a first principles description ofmagnon-electron coupling effects.Workshop on the FP-LMTO Method and DMFT for Correlation Effects in Solids, Es-poo, Finland.26. - 30.08.2013, Talk.

441 Maslyuk, V. V., L. M. Sandratskii, and I. Mertig.Electronic transport through a star-shaped Fe4 nanomagnet.Workshop on Modeling Single-Molecule Junctions: Novel Spectroscopies and Control,Berlin, Germany.14. - 16.10.2013, Talk.

442 Maslyuk, V. V., L. M. Sandratskii, B. Tsukerblat, and I. Mertig.Fe4 molecules: Magnetic anisotropy and electronic correlation effects.Summer School “The Como Moments: Theoretical and Computational Modeling ofMagnetically Ordered Molecules and Electronic Nano-Transport of Spins: State of Artand Unanswered Questions”, Como, Italy.24. - 30.08.2013, Talk.

443 Meyerheim, H. L., A. Ernst, K. Mohseni, I. V. Maznichenko, S. Ostanin, F. Klimenta,N. Jedrecy, W. Feng, I. Mertig, R. Felici, and J. Kirschner.Is the BaTiO3(001)-(2x1) reconstruction magnetic?Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

444 Meyerheim, H. L., W. Feng, K. Mohseni, O. O. Brovko, V. S. Stepanyuk, N. Jedrecy,R. Felici, and J. Kirschner.Mesoscopic misfit in Fe nanoislands on oxygen precovered Fe(001).ESRF Users’ Meeting, Grenoble, France.04. - 07.02.2013, Poster.

445 Meyerheim, H. L., S. Roy, K. Mohseni, A. Ernst, M. Garcia Vergniory, C. Tusche, E. V.Chulkov, and J. Kirschner.Surface x-ray structure analysis of pristine Bi2Se3(0001).Workshop on New Trends on Topological Insulators, Sant Feliu de Guixols, Spain.03. - 06.06.2013, Talk.

122

Publications and presentations Contributed presentations

446 Min, S. K., A. Abedi Khaledi, K. Kwang Soo, and E. K. U. Gross.Exact potential energy surfaces in the presence of conical intersections.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

447 Mirhosseini, H., M. Flieger, and J. Henk.Dirac-cone-like surface state in W(110): Dispersion, spin texture, and photoemissionfrom first principles.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

448 Mirhosseini, H. and J. Henk.Spin texture and circular dichroism in photoelectron spectroscopy from the topologi-cal insulator Bi2Te3: First-principles photoemission calculations.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

449 Morelli, A.Bismuth ferrite nanostructuring by focussed ion beam milling.International COST-SIMUFER Workshop “Nanoscale phenomena in ferroics and mul-tiferroics”, Belfast, UK.18. - 22.03.2013, Talk.

450 Motahari, S. and D. Jacob.Exact diagonalization of the Anderson impurity model.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

451 Munoz Saez, F., D. Altbir, M. Kiwi, and J. L. Moran-Lopez.Properties of Fe8N CoN nanoribbons and nanowires: A DFT approach.International Workshop on Magnetic Nanowires and Nanotubes, Kaub am Rhein, Ger-many.12. - 15.05.2013, Talk.

452 Munoz Saez, F., A. H. Romero Castro, J. Mejia-Lopez, and J. L. Moran Lopez.First-principles investigation of monoatomic and dimer Mn adsorption on noble metal(111) surfaces.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

453 Nagai, S., K. Hata, H. Oka, D. Sander, and J. Kirschner.Evaluations of atomic structure and spin polarization at apex of tips used in spin-polarized scanning tunneling microscopy.74th Japan Society of Applied Physics Autumn Meeting, Kyoto, Japan.16. - 20.09.2013, Talk.

454 Naumann, V., S. Großer, D. Lausch, S. Swatek, M. Werner, M. Turek, A. Graff, C. Ha-gendorf, J. Bagdahn, A. Hähnel, J. Bauer, and O. Breitenstein.Physikalische Modellbildung und Ursachenanalyse für Potential-induzierte Degrada-tion (PID) von Silizium-Solarzellen.

123

Contributed presentations Publications and presentations

Fortschritte in der Entwicklung von Solarzellen-Strukturen und Technologien (SiliconFOREST), Falkau, Germany.03. - 06.03.2013, Talk.

455 Naumann, V., D. Lausch, M. Turek, S. Großer, J. Bagdahn, A. Hähnel, C. Hagendorf,J. Bauer, and O. Breitenstein.The shunting mechanism of potential-induced degradation in crystalline silicon mod-ules.28th European Photovoltaic Solar Energy Conference and Exhibiton (28th EU PVSEC),Paris, France.30.09. - 04.10.2013, Talk.

456 Novakoski Fischer, K., D. Sander, A. A. Pasa, and J. Kirschner.Magnetostriction and stress beyond the elastic limit in Fe monolayers on Ag(001).International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Talk.

457 Novakoski Fischer, K., D. Sander, A. A. Pasa, and J. Kirschner.Epitaxial growth of Fe on Ag(001) revisited: Stress signatures of interfacial intermixingand epitaxial film growth.8th Brazilian-German Workshop on Applied Surface Science, Bamberg, Germany.15. - 20.09.2013, Talk.

458 Novakoski Fischer, K., D. Sander, A. A. Pasa, and J. Kirschner.Epitaxial growth of Fe on Ag(001) revisited: Film stress measurements as a monitor ofinterface formation.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

459 Novakoski Fischer, K., D. Sander, A. A. Pasa, and J. Kirschner.Magnetostriction and stress beyond the elastic limit in Fe monolayers on Ag(001).5th Seeheim Conference on Magnetism (SCM 2013), Frankfurt, Germany.29.09. - 03.10.2013, Talk.

460 Odashima, M. A., R. Haunschild, G. E. Scuseria, J. P. Perdew, and K. Capelle.A local hybrid functional constructed from lower bounds of Exc: Thermochemistry andreaction barriers.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

461 Odashima, M. A., A. Marmodoro, P. Buczek, A. Ernst, and L. M. Sandratskii.Chirality dependent magnon lifetime in a compensated half-metallic ferrimagnet.International Symposium on Recent Electronic-Structure Theories and Related Exper-iments, Stuttgart, Germany.12. - 15.06.2013, Poster.

462 Oka, H., P. A. Ignatiev, S. Wedekind, G. Rodary, L. Niebergall, V. S. Stepanyuk,D. Sander, and J. Kirschner.Spin-dependent quantum interference in a single magnetic nanostructure.Meeting of the Physical Society of Japan, Tokushima, Japan.25. - 28.09.2013, Talk.

124

Publications and presentations Contributed presentations

463 Panevin, V. Y., A. N. Sofronov, L. E. Vorobjev, D. A. Firsov, V. A. Shaligin, M. Y. Vin-nichenko, A. A. Tonkikh, and P. Werner.Lateral photoconductivity of Ge/Si structures with quantum dots.XVII International Symposium Nanophysics and Nanoelectronics, Nizhnii Novgorod,Russia.11. - 15.03.2013, Poster.

464 Phark, S.-H., M. Corbetta, J. A. Fischer, D. Sander, and J. Kirschner.Modifying the spin-depedent electronic properties of a Co nanoisland by Fe decora-tion.8th International Conference on Magnetic and Superconducting Materials(MSM2013), Hammamet, Tunisia.02. - 06.09.2013, Talk.

465 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Temperature-dependent magnetic hysteresis of the differential conductance in spin-polarized scanning tunneling spectroscopy with Fe-coated W tips.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

466 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Superparamagnetic response of Fe-coated W tips in spin-polarized scanning tunnelingmicroscopy.5th Seeheim Conference on Magnetism (SCM 2013), Frankfurt, Germany.29.09. - 03.10.2013, Talk.

467 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Characterization of magnetic tips in spin-polarized scanning tunneling spectroscopyby temperature-dependent spectroscopy.International Conference on Fine Particle Magnetism (ICFPM-2013), Perpignan,France.24. - 27.06.2013, Talk.

468 Phark, S.-H., J. A. Fischer, M. Corbetta, D. Sander, and J. Kirschner.Temperature-dependent measurements of the differential conductance with Fe-coated W tips.Joint European Magnetic Symposia (JEMS 2013), Rhodes, Greece.25. - 30.08.2013, Talk.

469 Pickenhain, R., F. Schmidt, H. v. Wenckstern, O. Breitenstein, and M. Grundmann.Low rate deep level transient spectroscopy - a powerful tool for defect characterizationin wide bandgap semiconductors.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

470 Pippel, E., R. Hillebrand, I. Vrejoiu, and D. Hesse.SrRuO3/Pr0.7Ca0.3MnO3 epitaxial multilayers: A HAADF-STEM, EDX and image simu-lation study.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

125

Contributed presentations Publications and presentations

471 Politi, Y., C. Valverde Serrano, E. Pippel, I. Zlotnikov, G. Barth, and P. Fratzl.Spider’s fang: Exploiting coordination chemistry to harden biological composites.The XXII International Materials Research Congress, Cancun, Mexico.11. - 16.08.2013, Talk.

472 Pototzky, K. J.Josephson junctions with classical vibrations.CECAM Workshop “Molecular Electronics: Quo vadis?”, Bremen, Germany.04. - 08.03.2013, Poster.

473 Premper, J., D. Sander, and J. Kirschner.Stress measurements during growth of BaTiO3 and SrTiO3 monolayers on Pt(001).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

474 Premper, J., D. Sander, and J. Kirschner.Stress measurements during PLD growth of BaTiO3 and SrTiO3 films on metal sub-strates.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

475 Preziosi, D., M. Alexe, and D. Hesse.Modulation of transport and magnetism in La0.825Sr0.175MnO3 thin films induced viaferroelectric switching.International school of oxide electronics 2013 (ISOE 2013), Cargèse, France.02. - 14.09.2013, Poster.

476 Preziosi, D., D. Hesse, M. Alexe, M. Wahler, and G. Schmidt.Charge-mediated magnetoelectric coupling in patterned multiferroic heterostructures.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

477 Preziosi, D., D. Hesse, M. Alexe, M. Wahler, and G. Schmidt.Field effects in strongly correlated materials induced by ferroelectric polarization.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.28. - 30.05.2013, Talk.

478 Qin, H. J., T.-H. Chuang, Y. Zhang, K. Zakeri Lori, and J. Kirschner.Magnetic order and magnon dispersion relation in ultrathin Fe and FePd alloy filmsgrown on Pd(100).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

479 Quindeau, A., S. Wisotzki, H. Deniz, D. Hesse, and M. Alexe.Memristive effects in Pb(Zr,Ti)O3-based multiferroic tunnel junctions.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.28. - 30.05.2013, Poster.

480 Quindeau, A., S. Wisotzki, H. Deniz, D. Hesse, and M. Alexe.Memristive effects in Pb(Zr,Ti)O3-based multiferroic tunnel junctions.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

126

Publications and presentations Contributed presentations

481 Reiche, M., M. Kittler, H.-M. Krause, and H. Übensee.Carrier transport on dislocations in silicon.27th International Conference on Defects in Semiconductors (ICDS 27), Bologna, Italy.21. - 26.07.2013, Poster.

482 Reiche, M., M. Kittler, H. Übensee, E. Pippel, and S. Hopfe.Dislocations as native nanostructures - electronic properties.2013 World Congresson Advances in Nano, Biomechanics, Robotics, and Energy Re-search (ANBRE13), Seoul, Korea.25. - 28.08.2013, Talk.

483 Reiche, M., M. Kittler, H. Übensee, and E. Pippel.A novel SOI-based MOSFET with ultra-low subthreshold swing for cryogenic applica-tions.28th Symposium on Microelectronics Technology and Devices (SbMicro 2013), Cu-ritiba, Brazil.02. - 06.09.2013, Talk.

484 Reiche, M., M. Kittler, and H. Übensee.Trap-assisted carrier transport in nanostructures.13th IEEE International Conference on Nanotechnology, Beijing, PR China.05. - 08.08.2013, Talk.

485 Reiche, M., M. Kittler, and H. Übensee.Trap-assisted tunneling on extended defects in tunnel field-effect transistors.2013 International Conference on Solid State Devices and Materials (SSDM 2013),Fukuoka, Japan.24. - 27.09.2013, Poster.

486 Rißland, S. and O. Breitenstein.Considering the distributed series resistance in a two-diode model.3rd International Conference on Crystalline Silicon Photovoltaics (SiliconPV), Hameln,Germany.25. - 27.03.2013, Poster.

487 Rißland, S. and O. Breitenstein.Ein Zwei-Dioden-Modell, das den verteilten Serienwiderstand berücksichtigt.SiliconFOREST 2013, Falkau, Germany.03. - 06.03.2013, Talk.

488 Rißland, S. and O. Breitenstein.Evaluation of recombination velocities of grain boundaries measured by high resolu-tion lock-in thermography.3rd International Conference on Crystalline Silicon Photovoltaics (SiliconPV), Hameln,Germany.25. - 27.03.2013, Poster.

489 Rißland, S., G. Micard, O. Breitenstein, A. Zuschlag, S. Seren, B. Terheiden, andG. Hahn.Comparison of the recombination velocity at grain boundaries gained by lock-in ther-mography and light beam induced current measurements.28th European Photovoltaic Solar Energy Conference and Exhibiton (28th EU PVSEC),Paris, France.30.09. - 04.10.2013, Poster.

127

Contributed presentations Publications and presentations

490 Röder, F., E. Pippel, and D. Hesse.Magnetization suppression in multiferroic PbZr0.2Ti0.8O3 / La0.7Sr0.3MnO3 bilayersmeasured by electron holography.1st Dresden Nanoanalysis Symposium, Dresden, Germany.26.04.2013, Poster.

491 Roldan Cuenya, B., L. K. Ono, J. R. Croy, K. Paredis, A. Kara, J. Zhao, E. E. Alp, andW. Keune.Size-dependent evolution of the phonon density of states of isolated Fe nanoparticles.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

492 Roy, S., H. L. Meyerheim, K. Mohseni, Z. Tian, D. Sander, A. Ernst, M. Hoffmann,W. Adeagbo, W. Hergert, R. Felici, and J. Kirschner.Structure, stress and magnetism of CoO(111) monolayers on Ir(001).Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

493 Ruiz Diaz, P., T. R. Dasa, and V. S. Stepanyuk.Tuning magnetic anisotropy in metallic multilayers by surface-charging: An ab initiostudy.XXII International Materials Research Congress (IMRC XXII), Cancun, Mexico.11. - 15.08.2013, Talk.

494 Ruiz Diaz, P. and V. S. Stepanyuk.Tuning magnetic anisotropy in Fe/Pt multilayers on Pt(001) by surface charging.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

495 Saha, S. K., O. O. Brovko, S. Polzin, F. Schumann, W. Widdra, and V. S. Stepanyuk.Probing surface and bulk phonons in nickel oxide.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

496 Sander, D.Stress on the atomic scale: From epitaxial misfit stress to magnetostriction of atomiclayers.Institut des Nanosciences de Paris, CNRS and Université Pierre et Marie Curie, Paris,France.20.06.2013, Talk.

497 Sandratskii, L. M.Influence of spin disorder on the relation between magnetic anisotropy and orbitalmagnetism.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

498 Sanna, A., A. Linscheid, and E. K. U. Gross.Density functional theory for superconductors.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen Physikalischen

128

Publications and presentations Contributed presentations

Gesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

499 Schönfelder, S., O. Breitenstein, S. Rißland, R. De Donno, and J. Bagdahn.Kerfless wafering for silicon wafers by using a reusable metal layer.3rd International Conference on Crystalline Silicon Photovoltaics (SiliconPV), Hameln,Germany.25. - 27.03.2013, Talk.

500 Schumann, F. O., L. Behnke, C.-H. Li, J. Kirschner, Y. Pavlyukh, and J. Berakdar.Electron pair emission from a highly correlated material.8th International Symposium on Metallic Multilayers, Kyoto, Japan.19. - 24.05.2013, Poster.

501 Schumann, F. O., L. Behnke, C.-H. Li, and J. Kirschner.Electron pair emission: Insights on the electron correlation strength.International Workshop on Strong Correlations and Angle-Resolved PhotoemissionSpectroscopy (CORPES 13), Hamburg, Germany.29.07. - 02.08.2013, Talk.

502 Schumann, F. O., I. S. Brandt, and J. Kirschner.Correlated positron-electron pair emission from surfaces.13th International Workshop on Slow Positron Beam Techniques and Applications,Garching, Germany.15. - 20.09.2013, Talk.

503 Senichev, A. V., V. G. Talalaev, J. Schilling, G. E. Cirlin, and P. Werner.Study of excitonic states in single InAs quantum dots by low-temperature SNOM.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

504 Senichev, A. V., V. G. Talalaev, J. Schilling, G. E. Cirlin, and P. Werner.Single core-shell GaAs/AlGaAs nanowires: A close look by near-field optical spec-troscopy.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

505 Senichev, A. V., V. G. Talalaev, I. V. Shtrom, J. Schilling, G. E. Cirlin, and P. Werner.Correlated optical and structural analysis of individual p-GaAs/AlGaAs core/shellnanowires.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.27. - 31.05.2013, Poster.

506 Senichev, A. V.Near-field optical spectroscopy of exitonic states in single InAs quantum dots grownby molecular beam epitaxy on vicinal surfaces.Materials Research Society Fall Meeting (MRS), Boston, USA.25. - 30.11.2012, Poster.

129

Contributed presentations Publications and presentations

507 Sharma, S., J. K. Dewhurst, and E. K. U. Gross.Spectral density and metal-insulator phase transition in Mott insulators within RDMFT.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

508 Sharma, S., J. K. Dewhurst, A. Sanna, and E. K. U. Gross.Bootstrap approximation for the exchange-correlation kernel of TD-DFT.Meeting on Optical Response in Extended Systems (MORE 2012), Vienna, Austria.14. - 16.11.2012, Talk.

509 Sharma, S., J. K. Dewhurst, A. Sanna, and E. K. U. Gross.Excitons in solids captured with bootstrap approximation for the exchange-correlationkernel of time-dependent density functional theory.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

510 Shen, C., K. Wang, O. Breitenstein, H. Kampwerth, and M. A. Green.Analysis of Rs images from luminescence methods and extraction of the processinginduced Rs problems.28th European Photovoltaic Solar Energy Conference and Exhibition (28 EU PVSEC2013), Paris, France.30.09. - 04.10.2013, Talk.

511 Shinohara, Y., S. A. Sato, K. Yabana, T. Otobe, J.-I. Iwata, and G. F. Bertsch.Real-time TDDFT simulation for electron-phonon dynamics under ultrashort laserpulse.Conference on Time-Dependent Density Functional Theory, Nantes, France.23. - 26.04.2013, Talk.

512 Shinohara, Y., S. A. Sato, K. Yabana, T. Otobe, J.-I. Iwata, and G. F. Bertsch.First-principles real-time simulation for coherent phonon.International Symposium on Ultrafast Surface Dynamics (USD8), Boulder, USA.27. - 30.05.2013, Talk.

513 Shinohara, Y., S. A. Sato, K. Yabana, T. Otobe, J.-I. Iwata, and G. F. Bertsch.Real-time TDDFT simulation for electron-lattice dynamics in crystalline solid under ul-trashort laser pulse.CECAM Tutorial “Electronic Structure at the Cutting Edge with Elk”, Lausanne, Switzer-land.15. - 19.07.2013, Poster.

514 Shinohara, Y., S. A. Sato, K. Yabana, T. Otobe, J.-I. Iwata, and G. F. Bertsch.First principles calculation for electron-phonon dynamics in crystals under ultrashortlaser pulses.Gordon-Kenan Research Seminar on Time-Dependent Density-Functional Theory,Biddeford, USA.10. - 11.08.2013, Poster.

515 Shinohara, Y., S. A. Sato, K. Yabana, T. Otobe, J.-I. Iwata, and G. F. Bertsch.First principles calculation for electron-phonon dynamics in crystals under ultrashortlaser pulses.

130

Publications and presentations Contributed presentations

Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

516 Shtrom, I. V., A. V. Senichev, V. G. Talalaev, G. E. Cirlin, A. D. Bourauleuv, and P. Werner.Correlated optical and structural analysis of individual p-type doped GaAs/AlGaAscore-shell nanowires.21st International Symposium “Nanostructures: Physics and Technology”, St. Peters-burg, Russia.24. - 28.06.2013, Talk.

517 Sivkov, I., D. I. Bazhanov, and V. S. Stepanyuk.Ferromagnetic-antiferromagnetic transition in 1D Fe-based nanocontacts.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

518 Sivkov, I. and V. S. Stepanyuk.Spin-dependent transport properties in 1D systems.International Conference on Nanosciene and Technology ICN+T 2013, Paris, France.09. - 14.09.2013, Talk.

519 Sivkov, I. and V. S. Stepanyuk.Spin-polarized conductance in 1D binary alloy systems.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

520 Stepanyuk, O. V., M. Corbetta, O. P. Polyakov, H. Oka, A. M. Saletsky, D. Sander, V. S.Stepanyuk, and J. Kirschner.Spin-dependent Smoluchowski effect.APS March Meeting, Baltimore, USA.18. - 22.03.2013, Talk.

521 Stratulat, S. M., D. Hesse, and M. Alexe.Growth of multiferroic heterostructures.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

522 Stratulat, S. M., D. Hesse, and M. Alexe.Nucleation-induced self-assembly of nanostructured BiFeO3-CoFe2O4.International COST-SIMUFER Workshop “Nanoscale phenomena in ferroics and mul-tiferroics”, Belfast, UK.18. - 22.03.2013, Talk.

523 Suga, S.Studies of correlated materials and recoil effects using HAXPES.5th International conference on hard X-ray photoelectron spectroscopy (HAXPES2013), Uppsala, Sweden.16. - 22.06.2013, Talk.

131

Contributed presentations Publications and presentations

524 Suzuki, Y., A. Abedi Khaledi, N. T. Maitra, K. Yamashita, and E. K. U. Gross.Exact electronic and nuclear time-dependent potential energy surfaces for attosecondelectron localization in the dissociation of H2

+.Frühjahrstagung der Sektion AMOP der Deutschen Physikalischen Gesellschaft, Han-nover, Germany.18. - 22.03.2013, Talk.

525 Suzuki, Y., A. Abedi Khaledi, N. T. Maitra, K. Yamashita, and E. K. U. Gross.Exact electron and nuclear time-dependent potential energy surfaces for attosecondelectron localization in the dissociation of H2

+.CECAM Workshop “Vibrational Coupling: Most Important, Often Ignored, And aChallenge for Ab-Initio Theory”, Lausanne, Switzerland.06. - 09.11.2012, Poster.

526 Suzuki, Y., A. Abedi Khaledi, N. T. Maitra, K. Yamashita, and E. K. U. Gross.Exact electronic potentials in coupled electron-ion dynamics: Application to attosec-ond electron localization.4th International Conference on Attosecond Physics (ATTO2013), Paris, France.08. - 12.07.2013, Poster.

527 Suzuki, Y., A. Abedi Khaledi, N. T. Maitra, K. Yamashita, and E. K. U. Gross.Exact electronic and nuclear time-dependent potential energy surface for attosecondelectron localization in the dissociation of H2

+.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

528 Talalaev, V. G., A. I. Khrebtov, P. Werner, I. V. Shtrom, B. V. Novikov, G. E. Cirlin, V. V.Danilov, and A. L. Panfutova.Emission properties of CdSe/ZnS core/shell nanodots deposited on GaAs nanowhiskerarray.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.27. - 31.05.2013, Poster.

529 Tandetzky, F., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.The physical solution of the GW approximation.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

530 Tandetzky, F., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.Multiplicity of solutions to GW-type approximations.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

531 Tandetzky, F., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.Multiple solutions of GW-type approximations.ETSF Young Researchers Meeting 2013, Budapest, Hungary.20. - 24.05.2013, Talk.

132

Publications and presentations Contributed presentations

532 Tarantino, W., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.QED-TDDFT.Correlation Meeting, Palaiseau, France.05. - 06.12.2012, Talk.

533 Tarantino, W., J. K. Dewhurst, S. Sharma, and E. K. U. Gross.QED-TDDFT.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

534 Tarantino, W.QED-TDDFT.Gordon Research Conference on Time-Dependent Density-Functional Theory, Bidde-ford, USA.11. - 16.08.2013, Poster.

535 Tarantino, W.QED-TDDFT.CECAM Workshop “Density Functional Theory: Learning from the Past, Looking to theFuture”, Berlin, Germany.02. - 05.07.2013, Poster.

536 Tarantino, W.QED-TDDFT.18th ETSF Workshop on Electronic Excitations (ETSF2013), Luxembourg City, Luxem-bourg.30.09. - 04.10.2013, Poster.

537 Tauber, K., D. V. Fedorov, M. Gradhand, and I. Mertig.Spin Hall and spin Nernst effect in dilute ternary alloys.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

538 Tauber, K., D. V. Fedorov, M. Gradhand, and I. Mertig.Spin Hall and spin Nernst effect in dilute ternary alloys.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

539 Tauber, K., M. Gradhand, D. V. Fedorov, and I. Mertig.Skew scattering mechanism of the spin Nernst effect from first principles.520. Wilhelm und Else Heraeus Seminar “Spin-Orbit Driven Transverse Transport Phe-nomena”, Bad Honnef, Germany.03. - 06.12.2012, Poster.

540 Thomas, S., C. Matyssek, W. Hergert, L. Kiewidt, M. Karamehmedvic, and T. Wriedt.Optimization of plasmonic nanostructures excited by light or electron beams: A gen-eralized multiparticle Mie-solution study.Symposium “Light Scattering: Simulation and Inversion”, Bremen, Germany.27. - 28.05.2013, Talk.

133

Contributed presentations Publications and presentations

541 Thonig, D. and J. Henk.Gilbert damping tensor within the breathing Fermi surface model: Anisotropy andnon-locality.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

542 Tonkikh, A. A., V. G. Talalaev, J. Schilling, and P. Werner.GeSn alloys: New direct band-gap material made of group IV elements.International Symposium “Nanophysics and Nanoelectronics”, Nizhny Novgorod,Russia.11. - 15.03.2013, Talk.

543 Tonkikh, A. A., V. G. Talalaev, J. Schilling, and P. Werner.GeSn/Ge quantum wells for mid-IR light sources.European Materials Research Society Spring Meeting (E-MRS), Strasbourg, France.27. - 31.05.2013, Poster.

544 Trautmann, M., I. Vrejoiu, D. Hesse, and W. Widdra.Atomic and electronic structure of the SrRuO3(001) surface: A combined STM andSTS study.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013, Poster.

545 Trautmann, M., I. Vrejoiu, D. Hesse, and W. Widdra.Atomic and electronic structure of the SrRuO3(001) surface: A combined STM andSTS study.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Talk.

546 Trützschler, A., C.-T. Chiang, M. Huth, J. Kirschner, and W. Widdra.Efficient time-of-flight photoemission spectroscopy using a high-harmonic light sourceat megahertz repetition rate.Joint IMPRS/SFB Workshop on Nanoscience and -technology, Halle, Germany.30.09. - 02.10.2013, Poster.

547 Trützschler, A., M. Christl, S. Förster, and W. Widdra.In-situ PFM characterization of ferroelectric domain properties of epitaxialBaTiO3(100) ultrathin films on Pt(100).Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

548 Tusche, C., M. Ellguth, A. Krasyuk, C. Wiemann, V. Feyer, M. Patt, C. M. Schneider, andJ. Kirschner.Efficient mapping of the spin resolved bandstructure of fct cobalt films by spin polar-ized momentum microscopy.19th International Vacuum Congress - IVC-19, Paris, France.08. - 14.09.2013, Talk.

549 Tusche, C., M. Ellguth, A. Krasyuk, A. Winkelmann, C. Wiemann, V. Feyer, M. Patt, C. M.Schneider, J. Henk, and J. Kirschner.Correlation effects in the spin resolved bandstructure of cobalt measured by spin po-larized momentum microscopy.International Workshop on Strong Correlations and Angle-Resolved Photoemission

134

Publications and presentations Contributed presentations

Spectroscopy (CORPES13), Hamburg, Germany.29.07. - 03.08.2013, Poster.

550 Tusche, C., M. Ellguth, A. Winkelmann, A. Krasyuk, D. Kutnyakhov, P. Lushchyk, K. Med-janik, G. Schönhense, and J. Kirschner.The spin polarizing electron mirror: Efficient spin resolved photoelectron microscopyand bandstructure mapping.8th International Workshop on LEEM/PEEM, Hong Kong SAR, PR China.11. - 15.11.2012, Talk.

551 Walther, T., R. Köferstein, N. Quandt, S. G. Ebbinghaus, and D. Hesse.Multiferroic 0-3 and 2-2 composites.6th European School on Multiferroics (ESMF6), Lutherstadt Wittenberg, Germany.21. - 26.07.2013, Poster.

552 Wei, Z., F. O. Schumann, C.-H. Li, L. Behnke, G. Di Filippo, G. Stefani, and J. Kirschner.One-step or two-step core-resonant double photoemission from a Ag(100) surface.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Poster.

553 Werner, P., H. Blumtritt, I. Zlotnikov, P. Fratzl, and A. Graff.Structural analysis of the biosilica spicule of the sponge monorhaphis chuni.Microscopy Conference, Regensburg, Germany.25. - 30.08.2013, Poster.

554 Winkelmann, A., C.-T. Chiang, M. Pazgan, T. R. F. Peixoto, and J. Kirschner.Spin-selective excitation pathways in nonlinear photoemission from metal surfaces.Conference on Ultrafast Magnetism, Strasbourg, France.28.10. - 01.11.2013, Talk.

555 Winkelmann, A., F. Salvat-Pujol, M. Vos, and W. S. M. Werner.Monte Carlo simulations for analysis of the energy spectrum in electron backscatterdiffraction patterns.Electron Backscatter Diffraction (EBSD 2013), Oxford, UK.25. - 27.03.2013, Talk.

556 Winkelmann, A., F. Salvat-Pujol, and W. S. M. Werner.Monte Carlo simulations for applications in electron backscatter diffraction.Microscopy & Microanalysis 2013, Indianapolis, USA.04. - 08.08.2013, Poster.

557 Winkelmann, A., C. Tusche, M. Ellguth, and J. Kirschner.Mapping of electronic structure in the momentum microscope.Microscopy & Microanalysis 2013, Indianapolis, USA.04. - 08.08.2013, Poster.

558 Winkelmann, A., M. Vos, F. Salvat-Pujol, and W. S. M. Werner.Local crystallographic information in Kikuchi patterns of backscattered electrons: Ex-periments and simulations.71st IUVSTA Worksshop on Characterization of Nanostructures by means of ElectronBeam Techniques, Schloss Hernstein, Austria.24. - 28.06.2013, Talk.

135

Contributed presentations Publications and presentations

559 Winkelmann, A.Monte-Carlo Simulationen zur Beschreibung des Energiespektrums rückgestreuterElektronen.Arbeitskreistreffen “Mikrostrukturcharakterisierung im Rasterelelektronenmikroskop”der Deutschen Gesellschaft für Materialkunde und des Deutschen Verbandes für Ma-terialforschung, Freiburg, Germany.17. - 18.06.2013, Talk.

560 Yu, P. and J. Kirschner.Nanoscale imaging of photoelectrons using an atomic force microscope.Frühjahrstagung der Sektion Kondensierte Materie der Deutschen PhysikalischenGesellschaft, Regensburg, Germany.10. - 15.03.2013, Talk.

561 Yu, P. and J. Kirschner.Nanoscale photoelectron mapping and spectroscopy with an atomic force microscope.8th Brazilian-German Workshop on Applied Surface Science , Bamberg, Germany.15. - 20.09.2013, Poster.

562 Zakeri Lori, K., Y. Zhang, T.-H. Chuang, and J. Kirschner.Relaxation time of terahertz magnons: The role of spin-orbit coupling.International Conference on Nanoscale Magnetism (ICNM 2013), Istanbul, Turkey.02. - 06.09.2013, Talk.

563 Zlotnikov, I., P. Werner, H. Blumtritt, Y. Dauphin, E. Zolotoyabko, and P. Fratzl.Mesoporous silica structure in the central filament of an anchor spicule of the marinesponge monorhaphis chuni.European Congress and Exhibition on Advanced Materials and Processes (EUROMAT2013), Sevilla, Spain.08. - 13.09.2013, Talk.

136

Publications and presentations Author and editor index

Author and editor index

Publications 1–179 (normal, editors marked by ∗)Presentations 180–563 (italic)

Abedi Khaledi, A. 1, 300 , 302 , 303 , 304 , 412 , 446 , 524 , 525 , 526 , 527

Agostini, F. 1, 300 , 302 , 303 , 304 , 305 , 306 , 307

Alexe, M. 16, 25, 28, 32, 74, 76, 89, 137, 180 , 181 , 182 , 183 , 185 ,186 , 226 , 241 , 242 , 258 , 309 , 320 , 321 , 322 , 324 , 354 ,355 , 384 , 403 , 414 , 415 , 416 , 423 , 475 , 476 , 477 , 479 ,480 , 521 , 522

Ao, X. 142

Arredondo, M. 72

Azimi, M. 310

Baldsiefen, T. 9

Bauer, J. 8, 10, 11, 58, 106, 150, 167, 168, 174, 184 , 187 , 225 , 255 ,394 , 395 , 421 , 422 , 454 , 455

Bayreuther, G. 313 , 314

Bazhanov, D. I. 517

Becker, U. 396 , 397 , 398 , 407 , 432

Behnke, L. 129, 315 , 358 , 500 , 501 , 552

Bhatnagar, A. 185 , 186 , 241 , 242 , 320 , 321 , 322 , 354 , 355 , 414 , 423

Blättermann, A. 343

Blumtritt, H. 10, 58, 79, 100, 165, 167, 168, 312 , 323 , 386 , 553 , 563

Borisov, V. S. 325 , 326 , 327 , 328 , 404 , 405

Böttcher, D. 17, 329 , 330 , 331 , 378

Brandt, I. S. 332 , 333 , 502

Breitenstein, O. 8, 10, 19, 20, 21, 22, 58, 106, 118, 119, 120, 121, 128, 150,167, 168, 170, 174, 187 , 188 , 189 , 190 , 225 , 255 , 269 ,334 , 335 , 336 , 337 , 394 , 395 , 421 , 422 , 454 , 455 , 469 ,486 , 487 , 488 , 489 , 499 , 510

Brockherde, F. 387

Brovko, O. O. 30, 41, 80, 191 , 270 , 271 , 272 , 338 , 339 , 444 , 495

Buczek, P. 27, 108, 111, 345 , 364

Caminale, M. 425

Cangi, A. 192 , 193 , 194 , 340 , 341 , 342

Chen, Y. 114

Chiang, C. T. 56, 171, 343 , 344 , 403 , 406 , 546 , 554

Chopra, A. 25

Chuang, T. 27, 114, 296 , 345 , 478 , 562

137

Author and editor index Publications and presentations

Corbetta, M. 112, 113, 124, 195 , 259 , 270 , 271 , 272 , 346 , 347 , 348 ,349 , 370 , 371 , 372 , 373 , 374 , 375 , 464 , 465 , 466 , 467 ,468 , 520

Dabrowski, M. 68, 92, 350 , 409 , 434

Dasa, T. R. 30, 122, 338 , 351 , 493

Davydov, A. 352 , 353

Deniz, H. 16, 354 , 355 , 479 , 480

Dewhurst, J. K. 133, 196 , 197 , 198 , 199 , 205 , 206 , 277 , 278 , 279 , 280 ,281 , 288 , 352 , 356 , 357 , 359 , 360 , 507 , 508 , 509 , 529 ,530 , 531 , 532 , 533

Dugaev, V. K. 200

Eich, F. G. 34

Ellguth, M. 146, 548 , 549 , 550 , 557

Elliott, P. 43, 91, 359 , 360

Erfurth, W. 137, 172, 361 , 362 , 363

Ernst, A. 13, 27, 38, 39, 46, 47, 93, 95, 96, 108, 111, 114, 201 , 202 ,203 , 204 , 251 , 252 , 325 , 326 , 327 , 345 , 364 , 366 , 367 ,378 , 379 , 380 , 381 , 382 , 404 , 405 , 436 , 437 , 438 , 443 ,445 , 461 , 492

Essenberger, F. 205 , 364

Etesami, S. R. 365

Feder, R. 49, 50, 77, 98, 123

Fedorov, D. V. 39, 40, 141, 366 , 367 , 399 , 400 , 401 , 537 , 538 , 539

Feng, W. 41, 95, 191 , 251 , 252 , 339 , 443 , 444

Fina, I. 368 , 369 , 384

Fischer, J. A. 112, 259 , 346 , 347 , 370 , 371 , 372 , 373 , 374 , 375 , 464 ,465 , 466 , 467 , 468

Flores Livas, J. A. 4, 206 , 376

Frank, S. 377

Gao, C. L. 166

Garcia Vergniory, M. 36, 46, 110, 131, 136, 207 , 378 , 379 , 380 , 381 , 382 , 445

Gastelois, P. L. 92, 138, 383 , 419 , 434

Geilhufe, M. 378

Geuss, M. 135

Geyer, N. 48, 317 , 318 , 319 , 424

Givan, U. 3, 385

Glawe, H. 387

Gliga, S. 51

138

Publications and presentations Author and editor index

Goetze, S. 258

Golrokh Bahoosh, S. 5, 6, 52, 53, 54, 55, 388 , 389 , 390 , 391 , 392 , 393

Gradhand, M. 39, 366

Graff, A. 553

Gross, E. K. U. 1, 9, 34, 63, 133, 193 , 196 , 197 , 206 , 208 , 209 , 210 , 211 ,212 , 213 , 214 , 215 , 216 , 217 , 218 , 219 , 220 , 221 , 222 ,223 , 224 , 277 , 278 , 279 , 280 , 281 , 288 , 300 , 302 , 303 ,304 , 352 , 356 , 357 , 359 , 360 , 387 , 412 , 431 , 446 , 498 ,507 , 508 , 509 , 524 , 525 , 526 , 527 , 529 , 530 , 531 , 532 ,533

Hähnel, A. 58, 79, 106, 167, 187 , 255 , 394 , 395 , 421 , 422 , 454 , 455

Hartmann, G. 396 , 397 , 398 , 407 , 432

Hellgren, M. 63

Herkenhoff, S. 24

Herschbach, C. 40, 399 , 400 , 401

Hesse, D. 25, 72, 74, 76, 78, 84, 89, 137, 162, 186 , 226 , 227 , 228 ,241 , 242 , 258 , 309 , 320 , 321 , 322 , 324 , 354 , 355 , 410 ,411 , 414 , 415 , 416 , 423 , 470 , 475 , 476 , 477 , 479 , 480 ,490 , 521 , 522 , 544 , 545 , 551

Hillebrand, R. 470

Hoffmann, M. 378 , 380 , 404 , 405 , 492

Hopfe, S. 176, 482

Huang, R. 66

Huth, M. 171, 343 , 344 , 406 , 546

Ignatiev, P. A. 257 , 270 , 271 , 272 , 462

Jacob, D. 67, 229 , 230 , 231 , 377 , 408 , 450

Johann, F. 69, 72, 99, 402

Johansson, A. 40

Kannan, V. 72

Keune, W. 232 , 491

Kim, Y. H. 74, 186 , 241 , 242 , 320 , 321 , 322 , 414 , 423

Kim, Y. S. 25

Kirschner, J. 27, 41, 68, 77, 83, 92, 95, 96, 112, 113, 114, 124, 129, 130,138, 146, 155, 156, 158, 159, 171, 191 , 195 , 233 , 234 ,235 , 236 , 237 , 238 , 239 , 251 , 252 , 257 , 259 , 270 , 271 ,272 , 296 , 315 , 332 , 333 , 339 , 343 , 344 , 345 , 346 , 347 ,348 , 349 , 350 , 358 , 370 , 371 , 372 , 373 , 374 , 375 , 383 ,406 , 409 , 418 , 419 , 420 , 425 , 426 , 434 , 435 , 443 , 444 ,445 , 453 , 456 , 457 , 458 , 459 , 462 , 464 , 465 , 466 , 467 ,468 , 473 , 474 , 478 , 492 , 500 , 501 , 502 , 520 , 546 , 548 ,549 , 550 , 552 , 554 , 557 , 560 , 561 , 562

139

Author and editor index Publications and presentations

Klimenta, F. 95, 96, 251 , 252 , 443

Knez, M. 151

Köstner, S. 79

Krasyuk, A. 83, 146, 418 , 420 , 548 , 549 , 550

Krieger, K. 197 , 240 , 281 , 356 , 359 , 360

Kuswik, P. 92, 383 , 419 , 434

Lee, J. H. 186 , 241 , 242 , 320 , 321 , 322 , 414 , 423

Lee, W. 151

Leon Vanegas, A. A. 425

Li, C. 129, 358 , 426 , 500 , 501 , 552

Li, X. 85, 86, 87, 427 , 428 , 429 , 430

Linscheid, A. 243 , 364 , 431 , 498

Lischke, T. 396 , 397 , 398 , 432

Liu, L. 151

Lu, X. B. 74

Lu, X. L. 137, 415

Makarenko, S. 433

Manna, S. 92, 434 , 435

Marmodoro, A. 93, 108, 436 , 437 , 438 , 439 , 440 , 461

Maznichenko, I. V. 95, 251 , 252 , 443

Meng, Y. 114

Mertig, I. 39, 40, 65, 94, 95, 96, 141, 244 , 245 , 246 , 247 , 248 , 249 ,250 , 251 , 252 , 301 , 325 , 326 , 327 , 328 , 366 , 367 , 378 ,380 , 399 , 400 , 401 , 403 , 404 , 405 , 441 , 442 , 443 , 537 ,538 , 539

Meyerheim, H. L. 41, 95, 96, 191 , 251 , 252 , 253 , 339 , 443 , 444 , 445 , 492

Min, S. K. 303 , 304 , 446

Mirhosseini, H. 97, 98, 254 , 447 , 448

Mohseni, K. 41, 95, 96, 251 , 252 , 443 , 444 , 445 , 492

Morelli, A. 23, 69, 99, 137, 384 , 449

Motahari, S. 450

Moutanabbir, O. 140

Munoz Saez, F. 101, 102, 103, 104, 451 , 452

Nagai, S. 453

Negulyaev, N. N. 107

Niebergall, L. 107, 257 , 270 , 271 , 272 , 462

Novakoski Fischer, K. 456 , 457 , 458 , 459

140

Publications and presentations Author and editor index

Odashima, M. A. 108, 256 , 460 , 461

Oka, H. 113, 124, 195 , 257 , 270 , 271 , 272 , 348 , 349 , 425 , 453 ,462 , 520

Ostanin, S. 39, 40, 47, 93, 95, 96, 251 , 252 , 325 , 326 , 327 , 328 , 366 ,367 , 378 , 404 , 405 , 443

Ouazi, S. 270 , 271 , 272 , 346 , 370

Pantel, D. 25, 258

Patil, S. 358

Pazgan, M. 554

Peixoto, T. R. F. 554

Phark, S. 112, 259 , 346 , 347 , 370 , 371 , 372 , 373 , 374 , 375 , 464 ,465 , 466 , 467 , 468

Pippel, E. 59, 60, 62, 100, 142, 162, 176, 354 , 355 , 414 , 470 , 471 ,482 , 483 , 490

Polyakov, O. P. 113, 195 , 348 , 349

Pototzky, K. J. 472

Premper, J. 473 , 474

Preziosi, D. 16, 90, 309 , 324 , 475 , 476 , 477

Przybylski, M. 68, 92, 138, 260 , 261 , 262 , 263 , 264 , 265 , 266 , 267 , 350 ,383 , 409 , 419 , 434 , 435

Qin, H. J. 27, 114, 345 , 478

Quindeau, A. 479 , 480

Reiche, M. 29, 81, 117, 140, 145, 176, 177, 178, 268 , 417 , 481 , 482 ,483 , 484 , 485

Rißland, S. 19, 118, 119, 120, 121, 128, 269 , 486 , 487 , 488 , 489 , 499

Rodary, G. 257 , 270 , 271 , 272 , 462

Romero Castro, A. H. 7, 12, 15, 31, 33, 35, 37, 45, 46, 104, 379 , 452

Roy, S. 445 , 492

Ruiz Diaz, P. 30, 122, 338 , 493 , 494

Saha, S. K. 80, 495

Sander, D. 26, 112, 113, 124, 195 , 257 , 259 , 270 , 271 , 272 , 273 , 274 ,346 , 347 , 348 , 349 , 370 , 371 , 372 , 373 , 374 , 375 , 425 ,453 , 456 , 457 , 458 , 459 , 462 , 464 , 465 , 466 , 467 , 468 ,473 , 474 , 492 , 496 , 520

Sandratskii, L. M. 27, 94, 108, 125, 301 , 345 , 364 , 436 , 441 , 442 , 461 , 497

Sanna, A. 147, 148, 275 , 278 , 279 , 280 , 352 , 353 , 364 , 379 , 387 ,431 , 498 , 508 , 509

Schammelt, N. 99

Scheerschmidt, K. 160

141

Author and editor index Publications and presentations

Scholz, R. 29

Schumann, F. O. 129, 130, 233 , 234 , 276 , 315 , 332 , 333 , 358 , 426 , 500 ,501 , 502 , 552

Senichev, A. V. 139, 179, 503 , 504 , 505 , 506 , 516

Senz, S. 100, 385 , 433

Sharma, S. 132, 133, 196 , 197 , 206 , 277 , 278 , 279 , 280 , 281 , 282 ,283 , 284 , 285 , 286 , 288 , 352 , 356 , 357 , 359 , 360 , 507 ,508 , 509 , 529 , 530 , 531 , 532 , 533

Shingne, N. 135

Shinohara, Y. 105, 511 , 512 , 513 , 514 , 515

Sivkov, I. 517 , 518 , 519

Stepanyuk, O. V. 113, 195 , 348 , 349

Stepanyuk, V. S. 30, 41, 66, 70, 80, 107, 113, 122, 124, 154, 191 , 195 , 257 ,270 , 271 , 272 , 287 , 338 , 339 , 348 , 349 , 351 , 444 , 462 ,493 , 494 , 495 , 517 , 518 , 519 , 520

Stepniak, A. 425

Stratulat, S. M. 137, 521 , 522

Suga, S. 153, 523

Suzuki, Y. 1, 300 , 524 , 525 , 526 , 527

Takada, M. 138

Talalaev, V. G. 71, 73, 86, 127, 139, 143, 173, 179, 413 , 503 , 504 , 505 ,516 , 528 , 542 , 543

Tandetzky, F. 109, 196 , 197 , 288 , 289 , 529 , 530 , 531

Tarantino, W. 197 , 532 , 533 , 534 , 535 , 536

Tauber, K. 141, 537 , 538 , 539

Thomas, S. 540

Thonig, D. 380 , 541

Tian, Z. 492

Tong, X. 142

Tonkikh, A. A. 2, 115, 116, 127, 139, 143, 144, 149, 169, 175, 290 , 308 ,311 , 317 , 318 , 319 , 424 , 463 , 542 , 543

Trutschel, M. 319

Trützschler, A. 546 , 547

Tusche, C. 83, 146, 291 , 292 , 418 , 420 , 426 , 445 , 548 , 549 , 550 , 557

Vrejoiu, I. 14, 44, 64, 69, 72, 75, 99, 126, 134, 162, 163, 164, 316 ,470

Wang, D. 151

Wedekind, S. 257 , 462

142

Publications and presentations Author and editor index

Wei, Z. 293 , 332 , 333 , 358 , 552

Werner, P. 2, 18, 48, 57, 61, 71, 73, 79, 115, 116, 139, 143, 144, 149,161, 165, 169, 173, 175, 179, 308 , 311 , 317 , 318 , 319 ,323 , 385 , 386 , 413 , 424 , 463 , 503 , 504 , 505 , 516 , 528 ,542 , 543 , 553 , 563

Widdra, W. 42, 80, 82, 171, 343 , 344 , 403 , 406 , 544 , 545 , 546 , 547

Winkelmann, A. 146, 152, 294 , 295 , 549 , 550 , 554 , 555 , 556 , 557 , 558 ,559

Winkler, C. 130, 234

Wisotzki, S. 479 , 480

Wollschläger, N. 317 , 318 , 319

Yan, C. 86, 87, 157

Yu, P. 155, 156, 560 , 561

Zacarias, A. 88

Zakeri Lori, K. 27, 114, 158, 159, 296 , 297 , 298 , 299 , 345 , 478 , 562

Zakharov, N. D. 10, 57, 61, 139, 143, 161, 168

Zhang, L. B. 151

Zhang, Y. 27

Zhang, Y. 159, 296 , 345 , 478 , 562

Zoldan, V. C. 166

Zubizarreta Iriarte, X. 380 , 381 , 382

143