Personensuche
Personensuche
Es wurde 1 Person gefunden.
Fakultät für Physik, Theoretische Physik
Anschrift
Lotharstr. 1, 47057
47057 Duisburg
47057 Duisburg
Raum
ME 123
Telefon
Telefax
Funktionen
-
Leiter, Arbeitsgruppe Prof. Pentcheva
-
Gruppe der Hochschullehrerinnen und Hochschullehrer, Fakultätsrat Physik
Aktuelle Veranstaltungen
-
2024 WS
Vergangene Veranstaltungen (max. 10)
-
2024 SS
- Theoretical surface physics: electronic structure theory - Theoretische Oberflächenphysik: Elektronenstrukturtheorie
- Project: Theoretical surface physics: electronic structure theory - Projekt zu Theoretische Oberflächenphysik: Elektronenstrukturtheorie
- Computergestützte Materialwissenschaft: Grenzflächeninduzierte Phänomene
- Übungen zur Statistischen Physik I
- Statistische Physik I
- Vortag PD Dr. Benjamin Geisler
- Elektronenstrukturtheorie
- Vorlesung Statistische Physik
-
2023 WS
Die folgenden Publikationen sind in der Online-Universitätsbibliographie der Universität Duisburg-Essen verzeichnet. Weitere Informationen finden Sie gegebenenfalls auch auf den persönlichen Webseiten der Person.
-
Concerted Mechanism of Carrier Dynamics in Laser-Excited Fen/(MgO)m(001) Heterostructures from Real-Time Time-Dependent DFTIn: Advanced Theory and Simulations Jg. 7 (2024) Nr. 1, 2300319Online Volltext: dx.doi.org/ (Open Access)
-
Electronic and optical properties of the fully and partially inverse CoFe2 O4 spinel from first principles calculations including many-body effectsIn: Physical Review B Jg. 109 (2024) Nr. 19, 195172Online Volltext: dx.doi.org/
-
Tuning the carrier localization, magnetic and thermoelectric properties of ultrathin (LaNiO 3−δ )1/(LaAlO 3 )1 (001) superlattices by oxygen vacanciesIn: Physical Review Research Jg. 6 (2024) 013189Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelateIn: Nature Communications Jg. 14 (2023) Nr. 1, 8284Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Facet-Dependent Intrinsic Activity of Single Co3O4 Nanoparticles for Oxygen Evolution ReactionIn: Advanced Functional Materials Jg. 33 (2023) Nr. 1, 2210945Online Volltext: dx.doi.org/ (Open Access)
-
High Chern numbers in a perovskite-derived dice lattice (LaXO₃)₃/(LaAlO₃)₃(111) with X = Ti, Mn and CoIn: Scientific Reports Jg. 13 (2023) Nr. 1, 10615Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Nature of excitons in the Ti L and O K edges of x-ray absorption spectra in bulk SrTiO3 from a combined first principles and many-body theory approachIn: Physical Review Research Jg. 5 (2023) Nr. 1, 013199Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Nature of the magnetic coupling in infinite-layer nickelates versus cupratesIn: Physical Review Materials Jg. 7 (2023) Nr. 11, 114803Online Volltext: dx.doi.org/ (Open Access)
-
Resolving the polar interface of infinite-layer nickelate thin filmsIn: Nature Materials (2023) Nr. 22, S. 4Online Volltext: dx.doi.org/ (Open Access)
-
Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in Nonequilibrium: Revealing Single Scattering Events and the Ballistic LimitIn: PRX Energy Jg. 2 (2023) Nr. 4, 043009Online Volltext: dx.doi.org/ (Open Access)
-
Anisotropic carrier dynamics in a laser-excited Fe1/(MgO)3(001) heterostructure from real-time time-dependent density functional theoryIn: Physical Review B Jg. 105 (2022) Nr. 24, 245103Online Volltext: dx.doi.org/ (Open Access)
-
Concomitant appearance of conductivity and superconductivity in (111) LaAlO₃/SrTiO₃ interface with metal cappingIn: Physical Review Materials Jg. 6 (2022) Nr. 4, 044802Online Volltext: dx.doi.org/ (Open Access)
-
Coupling of electronic and structural degrees of freedom in vanadate superlatticesIn: Physical Review B Jg. 105 (2022) Nr. 16, 165117Online Volltext: dx.doi.org/ (Open Access)
-
Metal-insulator transition and robust thermoelectricity via strain-tuned interplay between structural and electronic properties in (SrVO3)1/(SrTiO3)1(001) superlatticesIn: Physical Review Research Jg. 4 (2022) Nr. 3, 033013Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Orbital selective switching of ferromagnetism in an oxide quasi two-dimensional electron gasIn: npj Quantum Materials Jg. 7 (2022) Nr. 1, 41Online Volltext: dx.doi.org/ (Open Access)
-
Oxygen vacancy formation and electronic reconstruction in strained LaNiO3 and LaNiO3/LaAlO3 superlatticesIn: Physical Review B Jg. 106 (2022) Nr. 15, 155139Online Volltext: dx.doi.org/ (Open Access)
-
Temperature-dependent spin-resolved electronic structure of EuO thin filmsIn: Physical Review B Jg. 106 (2022) Nr. 5, 054424Online Volltext: dx.doi.org/ (Open Access)
-
Tuning the Thermoelectric Properties of Transition Metal Oxide Thin Films and Superlattices on the Quantum ScaleIn: Physica Status Solidi (B): Basic Solid State Physics Jg. 259 (2022) Nr. 5, Special issue: From Electronic Correlations to Functionality, 2100270Online Volltext: dx.doi.org/ (Open Access)
-
Angular dependence of Hall effect and magnetoresistance in SrRuO3- SrIrO3 heterostructuresIn: Physical Review B Jg. 103 (2021) Nr. 21, 214430Online Volltext: dx.doi.org/ (Open Access)
-
Chern insulating phases and thermoelectric properties of EuO/MgO(001) superlatticesIn: Physical Review B Jg. 103 (2021) Nr. 4, S. 045135Online Volltext: dx.doi.org/ (Open Access)
-
Correlated interface electron gas in infinite-layer nickelate versus cuprate films on SrTiO3(001)In: Physical Review Research Jg. 3 (2021) Nr. 1, 013261Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Effect of lattice excitations on transient near-edge x-ray absorption spectroscopyIn: Physical Review B Jg. 104 (2021) Nr. 14, 144302Online Volltext: dx.doi.org/ (Open Access)
-
Electronic reconstruction and charge transfer in strained Sr2CoIrO6 double perovskiteIn: Physical Review B Jg. 104 (2021) Nr. 20, 205126Online Volltext: dx.doi.org/ (Open Access)
-
Influence of fe and ni doping on the oer performance at the co3o4(001) surface : Insights from DFT+u calculationsIn: ACS Catalysis Jg. 11 (2021) Nr. 9, S. 5601 - 5613Online Volltext: dx.doi.org/
-
Influence of the particle size on selective 2-propanol gas-phase oxidation over Co3O4 nanospheresIn: Catalysis Science and Technology Jg. 11 (2021) Nr. 23, S. 7552 - 7562Online Volltext: dx.doi.org/
-
Orbital engineering in YVO3-LaAl O3 superlatticesIn: Physical Review B Jg. 104 (2021) Nr. 12, L121102Online Volltext: dx.doi.org/ (Open Access)
-
Supercomputing for energy conversion and catalysis applications : Modelling and understanding the catalytic activity of transition metal oxide surfaces using high-performance computer simulationsIn: Unikate: Berichte aus Forschung und Lehre (2021) Nr. 57: Katalyse : Alles andere als oberflächlich, S. 103 - 110Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Surface oxygen Vacancies on Reduced Co3O4(100): Superoxide Formation and Ultra-Low-Temperature CO OxidationIn: Angewandte Chemie International Edition Jg. 60 (2021) Nr. 30, S. 16514 - 16520Online Volltext: dx.doi.org/ (Open Access)
-
Synergistic Effects of Co and Fe on the Oxygen Evolution Reaction Activity of LaCoₓFe₁−ₓO₃In: Chemistry - A European Journal Jg. 27 (2021) Nr. 68, S. 17145 - 17158Online Volltext: dx.doi.org/ (Open Access)
-
Theoretical description of optical and X-ray absorption spectra of MgO including many-body effectsIn: Physical Review B Jg. 103 (2021) Nr. 19, 195128Online Volltext: dx.doi.org/ (Open Access)
-
Two-dimensional electron gas at the (001) surface of ferromagnetic EuTiO3In: Physical Review Research Jg. 3 (2021) Nr. 4, L042038Online Volltext: dx.doi.org/ (Open Access)
-
Competition of defect ordering and site disproportionation in strained LaCoO₃ on SrTiO₃(001)In: Physical Review B Jg. 101 (2020) Nr. 16, S. 165108Online Volltext: dx.doi.org/ (Open Access)
-
Extreme tensile strain states in La₀.₇Ca₀.₃MnO₃ membranesIn: Science Jg. 368 (2020) Nr. 6486, S. 71 - 76Online Volltext: dx.doi.org/ (Open Access)
-
Fundamental difference in the electronic reconstruction of infinite-layer versus perovskite neodymium nickelate films on SrTiO₃ (001)In: Physical Review B Jg. 102 (2020) Nr. 2, 020502Online Volltext: dx.doi.org/ (Open Access)
-
How photocorrosion can trick you : A detailed study on low-bandgap Li doped CuO photocathodes for solar hydrogen productionIn: Nanoscale Jg. 12 (2020) Nr. 14, S. 7766 - 7775Online Volltext: dx.doi.org/
-
Influence of 3d, 4d, and 5d dopants on the oxygen evolution reaction at α-Fe₂O₃(0001) under dark and illumination conditionsIn: The Journal of Chemical Physics (JCP) Jg. 152 (2020) Nr. 12, S. 124709Online Volltext: dx.doi.org/
-
Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculationsIn: Physical Review Materials Jg. 4 (2020) Nr. 4, 044402Online Volltext: dx.doi.org/ (Open Access)
-
Single-layer Janus black arsenic-phosphorus (b-AsP) : Optical dichroism, anisotropic vibrational, thermal, and elastic propertiesIn: Physical Review B Jg. 101 (2020) Nr. 13, S. 134102Online Volltext: dx.doi.org/ (Open Access)
-
Sn-Doped Hematite for Photoelectrochemical Water Splitting : The Effect of Sn ConcentrationIn: Zeitschrift für Physikalische Chemie Jg. 234 (2020) Nr. 4, S. 683 - 698Online Volltext: dx.doi.org/ (Open Access)
-
Chern and Z2 topological insulating phases in perovskite-derived 4d and 5d oxide buckled honeycomb latticesIn: Scientific Reports Jg. 9 (2019) S. 17306Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theoryIn: Physical Review B Jg. 99 (2019) Nr. 19, S. 195104Online Volltext: dx.doi.org/ (Open Access)
-
Effect of confinement and octahedral rotations on the electronic, magnetic, and thermoelectric properties of correlated SrX O3/SrTiO3(001) superlattices (X= V, Cr, or Mn)In: Physical Review B Jg. 100 (2019) Nr. 16, 165126Online Volltext: dx.doi.org/
-
Electronic Structure of a Graphene-like Artificial Crystal of NdNiO₃In: Nano Letters Jg. 19 (2019) Nr. 11, S. 8311 - 8317Online Volltext: dx.doi.org/
-
Inducing n - And p -Type Thermoelectricity in Oxide Superlattices by Strain Tuning of Orbital-Selective Transport ResonancesIn: Physical Review Applied Jg. 11 (2019) Nr. 4, S. 044047Online Volltext: dx.doi.org/ (Open Access)
-
Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based 4d and 5d oxide honeycomb latticesIn: Journal of Physics and Chemistry of Solids Jg. 128 (2019) S. 301 - 309Online Volltext: dx.doi.org/ (Open Access)
-
Large thermopower anisotropy in PdCoO2 thin filmsIn: Physical Review Materials Jg. 3 (2019) Nr. 8, 085403Online Volltext: dx.doi.org/
-
Microscopic nonequilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructureIn: Physical Review B Jg. 100 (2019) Nr. 17, 174301Online Volltext: dx.doi.org/ (Open Access)
-
Role of the exchange-correlation functional on the structural, electronic, and optical properties of cubic and tetragonal SrTiO3 including many-body effectsIn: Physical Review Materials Jg. 3 (2019) Nr. 6, S. 065004Online Volltext: dx.doi.org/ (Open Access)
-
Selective 2-Propanol Oxidation over Unsupported Co₃O₄ Spinel Nanoparticles : Mechanistic Insights into Aerobic Oxidation of AlcoholsIn: ACS Catalysis Jg. 9 (2019) Nr. 7, S. 5974 - 5985Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Three-dimensional character of the Fermi surface in ultrathin LaTiO₃/SrTiO₃ heterostructuresIn: Physical Review B Jg. 99 (2019) Nr. 11, 115126Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing ApplicationsIn: Inorganic Chemistry Jg. 58 (2019) Nr. 22, S. 14939 - 14980Online Volltext: dx.doi.org/ (Open Access)
-
Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO3/LaAlO3(001) superlatticesIn: Physical Review Materials Jg. 2 (2018) Nr. 5, 055403Online Volltext: dx.doi.org/ (Open Access)
-
Confinement-driven electronic and topological phases in corundum-derived 3d-oxide honeycomb latticesIn: Physical Review B Jg. 97 (2018) Nr. 3, 035126Online Volltext: dx.doi.org/ (Open Access)
-
Design of Chern insulating phases in honeycomb latticesIn: Physica C: Superconductivity and its Applications Jg. 549 (2018) S. 99 - 101Online Volltext: dx.doi.org/ (Open Access)
-
Digital modulation of the nickel valence state in a cuprate-nickelate heterostructureIn: Physical Review Materials Jg. 2 (2018) Nr. 3, S. 035001Online Volltext: dx.doi.org/ (Open Access)
-
Modulations in martensitic Heusler alloys originate from nanotwin orderingIn: Scientific Reports Jg. 8 (2018) Nr. 1, S. 8489Online Volltext: dx.doi.org/ (Open Access)
-
Nonzero Berry phase in quantum oscillations from giant Rashba-type spin splitting in LaTiO3/SrTiO3 heterostructures.In: Nature Communications Jg. 9 (2018) Nr. 1, S. 1458Online Volltext: dx.doi.org/ (Open Access)
-
Surface Termination and Composition Control of Activity of the CoₓNi₁₋ ₓFe₂O₄(001) Surface for Water Oxidation : Insights from DFT+ U CalculationsIn: ACS Catalysis Jg. 8 (2018) Nr. 12, S. 11773 - 11782Online Volltext: dx.doi.org/
-
The role of composition of uniform and highly dispersed cobalt vanadium iron spinel nanocrystals for oxygen electrocatalysisIn: ACS Catalysis Jg. 8 (2018) S. 1259 - 1267
-
Unexpected termination switching and polarity compensation in LaAlO₃/SrTiO₃ heterostructuresIn: Physical Review Materials Jg. 2 (2018) Nr. 11, 112001Online Volltext: dx.doi.org/ (Open Access)
-
Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting : The Full PictureIn: Advanced Functional Materials Jg. 28 (2018) Nr. 52, S. 1804472Online Volltext: dx.doi.org/
-
Design of n- and p-type oxide thermoelectrics in LaNiO3/SrTiO3(001) superlattices exploiting interface polarityIn: Physical Review B Jg. 95 (2017) Nr. 12, S. 125301Online Volltext: dx.doi.org/ (Open Access)
-
Neue Materialien errechnen : HPC in der Vorhersage neuartiger elektronischer und magnetischer Eigenschaften auf der Nanoskala mittels atomistischer quantenmechanischer SimulationenIn: Unikate: Berichte aus Forschung und Lehre (2017) Nr. 50: Natur-, Ingenieur- und Wirtschaftswissenschaften – High-Performance und Cloud Computing, S. 86 - 97Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Ordering tendencies and electronic properties in quaternary Heusler derivativesIn: Physical Review B Jg. 96 (2017) Nr. 16, S. 165131Online Volltext: dx.doi.org/ (Open Access)
-
Rock Salt Ni/Co Oxides with Unusual Nanoscale-Stabilized Composition as Water Splitting ElectrocatalystsIn: Advanced Functional Materials Jg. 27 (2017) Nr. 8, S. 1605121Online Volltext: dx.doi.org/
-
Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution ReactionIn: ChemCatChem Jg. 9 (2017) Nr. 15, S. 2988 - 2995Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Wide gap Chern Mott insulating phases achieved by designIn: npj Quantum Materials Jg. 2 (2017) 4Online Volltext: dx.doi.org/ (Open Access)
-
Depth-Resolved Composition and Electronic Structure of Buried Layers and Interfaces in a LaNiO3/SrTiO3 Superlattice from Soft- and Hard- X-ray Standing-Wave Angle-Resolved PhotoemissionIn: Journal of Electron Spectroscopy and Related Phenomena Jg. 211 (2016) S. 70 - 81Online Volltext: dx.doi.org/ (Open Access)
-
Design of Chern and Mott insulators in buckled 3d oxide honeycomb latticesIn: Physical Review B Jg. 93 (2016) S. 165145Online Volltext: dx.doi.org/
-
High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2In: Chemistry of Materials Jg. 28, 2016 (2016) Nr. 10, S. 3367 - 3373Online Volltext: dx.doi.org/
-
Impact of lattice dynamics on the phase stability of metamagnetic FeRh : Bulk and thin filmsIn: Physical Review B Jg. 94 (2016) Nr. 17, S. 174435Online Volltext: dx.doi.org/ (Open Access)
-
Mott Electrons in an Artificial Graphenelike Crystal of Rare-Earth NickelateIn: Physical Review Letters Jg. 116 (2016) Nr. 05, Art. no. 056801Online Volltext: dx.doi.org/
-
Tailoring magnetic frustration in strained epitaxial FeRh filmsIn: Physical Review B Jg. 93 (2016) Nr. 10, S. 104416Online Volltext: dx.doi.org/ (Open Access)
-
The 2016 oxide electronic materials and oxide interfaces roadmapIn: Journal of Physics D: Applied Physics Jg. 49 (2016) Nr. 43, S. 433001Online Volltext: dx.doi.org/ (Open Access)
-
Control of orbital reconstruction in (LaAlO3)M/(SrTiO3)N(001) quantum wells by strain and confinementIn: Scientific Reports Jg. 5 (2015) S. 7909Online Volltext: dx.doi.org/ (Open Access)
-
Electrostatic doping as a source for robust ferromagnetism at the interface between antiferromagnetic cobalt oxidesIn: Scientific Reports Jg. 5 (2015) S. 7997Online Volltext: dx.doi.org/ Online Volltext (Open Access)
-
Impact of strain-induced electronic topological transition on the thermoelectric properties of PtCoO2 and PdCoO2In: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 23, S. 235140Online Volltext: dx.doi.org/ (Open Access)
-
Insights into the structural, electronic, and magnetic properties of Fe2−x Ti x O3/Fe2O3 thin films with x = 0.44 grown on Al2O3 (0001)In: Journal of Materials Science Jg. 50 (2015) Nr. 1, S. 122 - 137Online Volltext: dx.doi.org/
-
Confinement-driven transitions between topological and Mott phases in (LaNiO3)N/(LaAlO3)M(111) superlatticesIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 12, S. 121110Online Volltext: dx.doi.org/ (Open Access)
-
Suppression of the critical thickness threshold for conductivity at the LaAlO3/SrTiO3 interfaceIn: Nature Communications Jg. 5 (2014) S. 4291Online Volltext: dx.doi.org/
-
DFT+U study of arsenate adsorption on FeOOH surfaces : evidence for competing binding mechanismsIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 117 (2013) Nr. 30, S. 15571 - 15582Online Volltext: dx.doi.org/
-
Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells : a three-orbital, strongly correlated generalization of grapheneIn: Physical Review Letters Jg. 111 (2013) Nr. 12, Art. no. 126804Online Volltext: dx.doi.org/
-
Momentum-resolved electronic structure at a buried interface from soft X-ray standing-wave angle-resolved photoemissionIn: EPL (Europhysics Letters) Jg. 104 (2013) Nr. 1, Art. no. 17004Online Volltext: dx.doi.org/
-
Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surfaceIn: Physical Review B: Condensed matter and materials physics Jg. 87 (2013) Nr. 19, Art. no. 195410Online Volltext: dx.doi.org/
-
Symmetrization driven spin transition in ε-FeOOH at high pressureIn: Earth and Planetary Science Letters Jg. 379 (2013) S. 49 - 55Online Volltext: dx.doi.org/
-
X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe3O4(001) Surface at Near-Ambient ConditionsIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 117 (2013) Nr. 6, S. 2719 - 2733Online Volltext: dx.doi.org/
-
Density functional theory study of water adsorption on FeOOH surfacesIn: Surface Science Jg. 606 (2012) Nr. 21 - 22, S. 1623 - 1632Online Volltext: dx.doi.org/
-
Hydrogen adsorption and site-selective reduction of the Fe3O4(001) surface : insights from first principlesIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 116 (2012) Nr. 31, S. 16447 - 16453Online Volltext: dx.doi.org/
-
Termination control of electronic phases in oxide thin films and interfaces : LaAlO₃/SrTiO₃(001)In: Philosophical transactions of the Royal Society. Series A, Mathematical, physical and engineering sciences Jg. 370 (2012) Nr. 1977, S. 4904 - 4926
-
Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contactsIn: Physical Review B: Condensed matter and materials physics Jg. 85 (2012) Nr. 12, Art. no. 125404Online Volltext: dx.doi.org/
-
Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlatticesIn: Physical Review B: Condensed matter and materials physics Jg. 84 (2011) Nr. 19,Online Volltext: dx.doi.org/
-
Energetic stability and magnetic coupling in (Cr1−xFex)2O3 : evidence for a ferrimagnetic ilmenite-type superlattice from first principlesIn: Physical Review B: Condensed matter and materials physics Jg. 83 (2011) Nr. 21, Art. no. 214424Online Volltext: dx.doi.org/
-
Orbital control in strained ultra-thin LaNiO3/LaAlO3 superlatticesIn: epl : a letters journal exploring the frontiers of physics Jg. 96 (2011) Nr. 5, Art. no. 57004 (5 pp)Online Volltext: dx.doi.org/
-
Resistive memory switching in layered oxides : AnBnO3n+2 perovskite derivatives and Bi2Sr2CaCu2O8+δ high-Tc superconductorIn: Physica status solidi : pss Jg. 208 (2011) Nr. 2, S. 284 - 299Online Volltext: dx.doi.org/
-
Ab initio electronic structures of rhombohedral and cubic HgXO3 (X = Ti, Pb)In: Journal of Physics: Condensed Matter Jg. 22 (2010) Nr. 4, 045504Online Volltext: dx.doi.org/
-
Coverage-dependent adsorption mode of water on Fe3O4(001) : insights from first principles calculationsIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 114 (2010) Nr. 25, S. 11148 - 11156Online Volltext: dx.doi.org/
-
Electronic phenomena at complex oxide interfaces : insights from first principlesIn: Journal of Physics: Condensed Matter Jg. 22 (2010) Nr. 4, 043001Online Volltext: dx.doi.org/
-
Magnetic coupling parameters at an oxide-oxide interface from first principles : Fe2O3-FeTiO3In: Physical Review B: Condensed matter and materials physics Jg. 81 (2010) Nr. 21, Art. no. 214432Online Volltext: dx.doi.org/
-
Parallel electron-hole bilayer conductivity from electronic interface reconstructionIn: Physical Review Letters Jg. 104 (2010) Nr. 16, Art. no. 166804Online Volltext: dx.doi.org/
-
Semiconductor–half metal transition at the Fe 3 O 4 (001) surface upon hydrogen adsorptionIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 12, Art. no. 125413Online Volltext: dx.doi.org/
-
Avoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through polar distortionIn: Physical Review Letters Jg. 102 (2009) Nr. 10, Art. no. 107602Online Volltext: dx.doi.org/
-
Effect of strain on the stability and electronic properties of ferrimagnetic Fe2−xTixO3Fe2−xTixO3 heterostructures from correlated band theoryIn: Journal of Applied Physics Jg. 106 (2009) Nr. 07, S. 73912Online Volltext: dx.doi.org/
-
First principles study of magnetism in divalent Eu perovskitesIn: Journal of Applied Physics Jg. 105 (2009) Nr. 5, S. 053905Online Volltext: dx.doi.org/
-
Partial dissociation of water on Fe3O4(001) : adsorbate induced charge and orbital orderIn: Physical Review Letters Jg. 103 (2009) Nr. 17, Art. no. 176102Online Volltext: dx.doi.org/
-
Pressure-induced structural and electronic transitions in FeOOH from first principlesIn: Physical Review B: Condensed matter and materials physics Jg. 80 (2009) Nr. 20, Art. no. 205116Online Volltext: dx.doi.org/
-
A combined DFT/LEED-approach for complex oxide surface structure determination : Fe3O4(0 0 1)In: Surface Science Jg. 602 (2008) Nr. 7, S. 1299 - 1305Online Volltext: dx.doi.org/
-
Interface magnetism in Fe2O3/FeTiO3 heterostructuresIn: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) Nr. 17, Art. no. 172405Online Volltext: dx.doi.org/
-
Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO3/SrTiO3 interfaceIn: Physical Review B: Condensed matter and materials physics Jg. 78 (2008) Nr. 20, Art. no. 205106Online Volltext: dx.doi.org/
-
Spin-Resolved Photelectron Spectroscopy on Fe3O4 - revisitedIn: Journal of Physics: Condensed Matter Jg. 20 (2008) Nr. 14, 142201Online Volltext: dx.doi.org/
-
Correlation-driven charge order at the interface between a mott and a band insulatorIn: Physical Review Letters Jg. 99 (2007) Nr. 01, Art. no. 016802Online Volltext: dx.doi.org/
-
Electronic structure and magnetism of EuTiO3 : A first-principles studyIn: Journal of Physics: Condensed Matter Jg. 19 (2007) Nr. 40, 406217Online Volltext: dx.doi.org/
-
Magnetite : A search for the half-metallic stateIn: Journal of Physics: Condensed Matter Jg. 19 (2007) Nr. 31, 315217Online Volltext: dx.doi.org/
-
Charge localization or itineracy at LaAlO3∕SrTiO3 interfaces : hole polarons, oxygen vacancies, and mobile electronsIn: Physical Review B: Condensed matter and materials physics Jg. 74 (2006) Nr. 3, Art. no. 035112Online Volltext: dx.doi.org/
-
Predicting the stability and properties of mineral surfaces at ambient pressureIn: Innovatives Supercomputing in Deutschland : inSiDE Jg. 4 (2006) Nr. 1, S. 14
-
Ab initio study of microscopic processes in the growth of Co on Cu(001)In: Applied physics. A, Materials science & processing. Applied physics / A Jg. 80 (2005) Nr. 5, S. 971 - 975Online Volltext: dx.doi.org/
-
Jahn-Teller stabilization of a “polar” metal oxide surface : Fe3O4(001)In: Physical Review Letters Jg. 94 (2005) Nr. 12, Art. no. 126101Online Volltext: dx.doi.org/
-
Surface electronic structure of the Fe3O4(100) : evidence of a half-metal to metal transitionIn: Physical Review B: Condensed matter and materials physics Jg. 72 (2005) Nr. 10, Art. no. 104436Online Volltext: dx.doi.org/
-
Non-arrhenius behavior of the island density in metal heteroepitaxy : Co on Cu(001)In: Physical Review Letters Jg. 90 (2003) Nr. 07, Art. no. 076101Online Volltext: dx.doi.org/
-
Initial adsorption of Co on Cu(001) : a first-principles investigationIn: Physical Review B: Condensed matter and materials physics Jg. 65 (2002) Nr. 15, Art. no. 155418Online Volltext: dx.doi.org/
-
Stable and metastable structures of Co on Cu(001) : an ab initio studyIn: Physical Review B: Condensed matter and materials physics Jg. 61 (2000) Nr. 3, Art. no. 2211Online Volltext: dx.doi.org/
-
Atomic exchange processes and bimodal initial growth of Co/Cu(001)In: Physical Review B: Condensed matter and materials physics Jg. 60 (1999) Nr. 20, S. 14382 - 14386Online Volltext: dx.doi.org/
-
Chern and Z₂ topological insulating phases in perovskite-derived 4d and 5d oxide buckled honeycomb lattices(2019)(Open Access)
-
Origin of interface magnetism in Fe2O3/FeTiO3 heterostructuresIn: High Performance Computing in Science and Engineering, Garching/Munich 2009: Transactions of the Fourth Joint HLRB and KONWIHR Review and Results Workshop, Dec. 8-9, 2009, Leibniz Supercomputing Centre, Garching/Munich, Germany / Wagner, Siegfried (Hrsg.) 2010, S. 565 - 574Online Volltext: dx.doi.org/
-
Compensation mechanisms and functionality of transition metal oxide surfaces and interfaces : a density functional theory studyIn: High Performance Computing in Science and Engineering, Garching/Munich 2007: Transactions of the Third Joint HLRB and KONWIHR Status and Result Workshop, Dec. 3–4, 2007, Leibniz Supercomputing Centre, Garching/Munich, Germany / High Performance Computing in Science and Engineering, Garching/Munich 2007 / Wagner, Siegfried (Hrsg.) 2009, S. 709 - 717Online Volltext: dx.doi.org/
-
Modern growth problems and growth techniquesIn: Magnetic heterostructures: advances and perspectives in spinstructures and spintransport / Zabel, Hartmut (Hrsg.) 2008, S. 1 - 44
-
Structure, energetics and properties of Fe3O4(001) from first principlesIn: High Performance Computing in Science and Engineering, Munich 2004: ransactions of the Second Joint HLRB and KONWIHR Status and Result Workshop, March 2–3, 2004, Technical University of Munich, and Leibniz-Rechenzentrum Munich, Germany / High Performance Computing in Science and Engineering, Munich 2004 / Wagner, Siegfried (Hrsg.) 2005, S. 375 - 381Online Volltext: dx.doi.org/
-
Island nucleation in metal thin-film growthIn: Atomistic Aspects of Epitaxial Growth / Kotrla, Miroslav (Hrsg.) 2002, S. 87 - 97Online Volltext: dx.doi.org/
-
Theory of adsorption, diffusion, and growth of cobalt on Cu(001)Berlin (2000) 136, IV S
-
Ab-initio Rechnungen zum Zusammenhang zwischen Magnetismus und Struktur ultradünner FilmeIn: Berichte des Forschungszentrums Jülich Jülich Jg. 3364 (1997) 98 Seiten
-
Nanoskalige Übergangsmetalloxide : Faszinierende Materialien, spannende Anwendungsmöglichkeiten
Die kleine Form, 16. November 2016, Essen,In: Die kleine Form 2016/2017 (2016)