Publikationsliste
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Accelerated Electron-Hole Separation at the Organic-Inorganic Anthracene/Janus MoSSe InterfaceIn: The Journal of Physical Chemistry Letters Jg. 15 (2024) Nr. 31, S. 7878 - 7884Online Volltext: dx.doi.org/ (Open Access)
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Critical behavior of the dimerized Si(001) surface : Continuous order-disorder phase transition in the two-dimensional Ising universality classIn: Physical Review B Jg. 109 (2024) Nr. 13, 134104Online Volltext: dx.doi.org/ (Open Access)
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Effect of biquadratic magnetic exchange interaction in the 2D antiferromagnets MPS3 (M=Mn,Fe,Co,Ni)In: Physical Review Materials Jg. 8 (2024) Nr. 8, 084005Online Volltext: dx.doi.org/ (Open Access)
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Femtosecond Spin-State Switching Dynamics of Fe(II) Complexes Condensed in Thin FilmsIn: ACS Nano (2024) in pressOnline Volltext: dx.doi.org/
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First-principles calculations of MoSeTe/WSeTe bilayers : Stability, phonons, electronic band offsets, and Rashba splittingIn: Physical Review B Jg. 109 (2024) Nr. 8, 085425Online Volltext: dx.doi.org/ (Open Access)
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Identifying Band Structure Changes of FePS₃ across the Antiferromagnetic Phase TransitionIn: ACS Nano Jg. 18 (2024) Nr. 47, S. 32924 - 32931Online Volltext: dx.doi.org/
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Isolating the optical response of a MoS2 monolayer under extreme screening of a metal substrateIn: Physical Review B Jg. 109 (2024) Nr. 16, L161402Online Volltext: dx.doi.org/ (Open Access)
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Quasi-particle Propagation Across Semiconductor–Mott Insulator InterfacesIn: International Journal of Theoretical Physics Jg. 63 (2024) Nr. 11,Online Volltext: dx.doi.org/
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Dimer coupling energies of the Si(001) surfaceIn: Physical Review Letters Jg. 130 (2023) Nr. 12, 126203Online Volltext: dx.doi.org/ (Open Access)
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Evaluating strain and doping of Janus MoSSe from phonon mode shifts supported by ab-initio DFT calculationsIn: Nanoscale Jg. 15 (2023) Nr. 25, S. 10834 - 10841Online Volltext: dx.doi.org/ (Open Access)
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Interaction between a gold substrate and monolayer MoS2 : An azimuthal-dependent sum frequency generation studyIn: Physical Review B Jg. 107 (2023) Nr. 15, 155433Online Volltext: dx.doi.org/
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Interaction between pentacene molecules and monolayer transition metal dichalcogenidesIn: Physical Chemistry, Chemical Physics (PCCP) Jg. 25 (2023) Nr. 43, S. 29444 - 29450Online Volltext: dx.doi.org/ (Open Access)
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Orbital and magnetic ordering in single-layer FePS3 : A DFT+U studyIn: Physical Review B Jg. 107 (2023) Nr. 2, 024401Online Volltext: dx.doi.org/
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Lattice dynamics, elastic, magnetic, thermodynamic and thermoelectric properties of the two-dimensional semiconductors MPSe3 (M = Cd, Fe and NI) : a first-principles studyIn: Materials Research Express (MRX) Jg. 9 (2022) Nr. 10, 106302Online Volltext: dx.doi.org/ (Open Access)
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Quantum Zeno manipulation of quantum dotsIn: Physical Review Research Jg. 4 (2022) Nr. 3, L032045Online Volltext: dx.doi.org/ (Open Access)
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Relaxation of photoexcited hot carriers beyond multitemperature models : General theory description verified by experiments on Pb/Si(111)In: Physical Review Research Jg. 4 (2022) Nr. 3, 033218Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Structural defects in a Janus MoSSe monolayer : A density functional theory studyIn: Physical Review B Jg. 106 (2022) Nr. 23, 235414Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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A fresh look at the structure of aromatic thiols on Au surfaces from theory and experimentIn: The Journal of Chemical Physics (JCP) Jg. 155 (2021) Nr. 4, 044707Online Volltext: dx.doi.org/
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All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function frameworkIn: The Journal of Chemical Physics (JCP) Jg. 155 (2021) Nr. 15, 154801Online Volltext: dx.doi.org/ (Open Access)
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First-principles computational exploration of ferromagnetism in monolayer GaS via substitutional dopingIn: Journal of Physics: Condensed Matter Jg. 33 (2021) Nr. 31, 314003Online Volltext: dx.doi.org/
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Magnetic exchange interactions in bilayer CrX3 (X=Cl,Br,and I) : A critical assessment of the DFT+U approachIn: Physical Review B Jg. 103 (2021) Nr. 22, 224421Online Volltext: dx.doi.org/
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Signatures of the Dichalcogenide-Gold Interaction in the Vibrational Spectra of MoS₂and MoSe₂on Au(111)In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 125 (2021) Nr. 48, S. 26645 - 26651Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Chemisorption and physisorption at the metal/organic interface : Bond energies of naphthalene and azulene on coinage metal surfacesIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces (2020)Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Electronic correlation, magnetic structure, and magnetotransport in few-layer Cr I3In: Physical Review Materials Jg. 4 (2020) Nr. 10, S. 104006Online Volltext: dx.doi.org/ (Open Access)
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Molybdenum Disulfide Nanoflakes Grown by Chemical Vapor Deposition on Graphite : Nucleation, Orientation, and Charge TransferIn: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 124 (2020) Nr. 4, S. 2689 - 2697Online Volltext: dx.doi.org/ (Open Access)
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Ab initio simulation of the structure and transport properties of zirconium and ferromagnetic cobalt contacts on the two-dimensional semiconductor WS2In: Physical Review B Jg. 99 (2019) Nr. 3, 035418Online Volltext: dx.doi.org/ (Open Access)
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Adsorption and dissociation of iron phthalocyanine on H/Si(111) : Impact of van der Waals interactions and perspectives for subsurface dopingIn: Physical Review B Jg. 99 (2019) Nr. 15, S. 155433Online Volltext: dx.doi.org/ (Open Access)
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Boltzmann relaxation dynamics of strongly interacting spinless fermions on a latticeIn: Physical Review B Jg. 100 (2019) Nr. 24, 245110Online Volltext: dx.doi.org/ (Open Access)
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Molecule-Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces : Naphthalene versus Azulene on Ag(111) and Cu(111)In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 123 (2019) Nr. 48, S. 29219 - 29230Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Phonon-induced electronic relaxation in a strongly correlated system : The Sn/Si(111) (√3×√3) adlayer revisitedIn: Physical Review B Jg. 100 (2019) Nr. 12, 125427Online Volltext: dx.doi.org/ (Open Access)
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Relaxation of electrons in quantum-confined states in Pb/Si(111) thin films from Master Equation with first-principles-derived ratesIn: New Journal of Physics (NJP) Jg. 21 (2019) Nr. 12, S. 123023Online Volltext: dx.doi.org/ (Open Access)
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Spin caloric transport from density-functional theoryIn: Journal of Physics D: Applied Physics Jg. 52 (2019) Nr. 7, S. 073001Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Surface structural phase transition induced by the formation of metal-organic networks on the Si(111) - In surfaceIn: Nanoscale Jg. 11 (2019) Nr. 45, S. 21790 - 21798Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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The basics of electronic structure theory for periodic systemsIn: Frontiers in Chemistry Jg. 7 (2019) 106Online Volltext: dx.doi.org/ (Open Access)
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Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theoryIn: Physical Review B Jg. 97 (2018) Nr. 3, 035204Online Volltext: dx.doi.org/
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Commensurate versus incommensurate heterostructures of group-III monochalcogenidesIn: Physical Review Materials Jg. 2 (2018) Nr. 9, S. 094002Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Enhanced electronic and magnetic properties by functionalization of monolayer GaS via substitutional doping and adsorptionIn: Journal of Physics: Condensed Matter Jg. 30 (2018) Nr. 19, 195805Online Volltext: dx.doi.org/
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Single-atom vacancy in monolayer phosphorene : A comprehensive study of stability and magnetism under applied strainIn: Journal of Magnetism and Magnetic Materials Jg. 465 (2018) S. 546 - 553Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Surface vibrations in the T4 and H_3 Pb phases on Si(111)In: Physical Review B Jg. 98 (2018) Nr. 19, 195427Online Volltext: dx.doi.org/
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Coupling of quantum well states and phonons in thin multilayer Pb films on Si(111)In: Physical Review B Jg. 96 (2017) Nr. 11, S. 115442Online Volltext: dx.doi.org/
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Crystal Structure Induced Preferential Surface Alloying of Sb on Wurtzite/Zinc Blende GaAs NanowiresIn: Nano Letters Jg. 17 (2017) Nr. 6, S. 3634 - 3640Online Volltext: dx.doi.org/
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Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbonIn: RSC Advances Jg. 7 (2017) S. 29112 - 29121Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Indium coverage of the Si(111)- 7 × 3 -In surfaceIn: Physical Review B Jg. 96 (2017) Nr. 3, S. 035412Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Magnetic monolayer Li2N : Density Functional Theory calculationsIn: EPL (Europhysics Letters) Jg. 119 (2017) Nr. 5, S. 57002Online Volltext: dx.doi.org/ (Open Access)
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Native defects in the Co2TiZ (Z=Si,Ge,Sn) full Heusler alloys : Formation and influence on the thermoelectric propertiesIn: Physical Review B Jg. 96 (2017) Nr. 5, S. 054443Online Volltext: dx.doi.org/ (Open Access)
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Spinning round : High-Performance Computing für maßgeschneiderte Materialien für die InformationstechnologieIn: Unikate: Berichte aus Forschung und Lehre (2017) Nr. 50: Natur-, Ingenieur- und Wirtschaftswissenschaften - High-Performance und Cloud Computing, S. 45 - 57Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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The role of van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surfaceIn: The Journal of Chemical Physics (JCP) Jg. 146 (2017) Nr. 3, S. 034702Online Volltext: dx.doi.org/ (Open Access)
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Towards a standardized setup for surface energy calculationsIn: Physical Review B Jg. 95 (2017) Nr. 8, S. 085408Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Ternary semiconductors NiZrSn and CoZrBi with half-Heusler structure : A first-principles studyIn: Physical Review B Jg. 94 (2016) Nr. 7, S. 75203Online Volltext: dx.doi.org/ (Open Access)
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Thermoelectric properties of Ge/Si heterostructures: a combined theoretical and experimental studyIn: Physica Status Solidi (A) - Applications and Materials Science Jg. 213 (2016) Nr. 3, S. 524 - 532Online Volltext: dx.doi.org/
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Thermoelectric properties of Half-Heusler heterostructures from ab initio calculationsIn: Journal of Electronic Materials (JEM) Jg. 45 (2016) Nr. 3, S. 1762 - 1766Online Volltext: dx.doi.org/
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Atomic-scale detection of magnetic impurity interactions in bulk semiconductorsIn: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 10, S. 100407Online Volltext: dx.doi.org/ (Open Access)
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Large morphological sensitivity of the magneto-thermopower in Co/Cu multilayered systemsIn: New Journal of Physics (NJP) Jg. 17 (2015) Nr. 3, S. 033036Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Reduced thermal conductivity of TiNiSn/HfNiSn superlatticesIn: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 12, S. 125436Online Volltext: dx.doi.org/ (Open Access)
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Spincaloric properties of epitaxial Co2MnSi/MgO/Co2MnSi magnetic tunnel junctionsIn: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 14, S. 144418Online Volltext: dx.doi.org/ (Open Access)
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Unoccupied electronic structure and momentum-dependent scattering dynamics in Pb/Si(557) nanowire arraysIn: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 13, S. 134301Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ (Open Access)
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Atomistic calculation of the thermoelectric properties of Si nanowiresIn: Physical Review B: Condensed matter and materials physics Jg. 90 (2014) S. 045429Online Volltext: dx.doi.org/ (Open Access)
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Electronic and structural Differences between Wurtzite and Zinc Blende InAs Nanowire Surfaces : Experiment and TheoryIn: ACS Nano Jg. 8 (2014) Nr. 12, S. 12346 - 12355Online Volltext: dx.doi.org/ (Open Access)
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First-principles study of spin-dependent thermoelectric properties of half-metallic Heusler thin films between platinum leadsIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 9, S. 094410Online Volltext: dx.doi.org/
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Interplay of growth mode and thermally induced spin accumulation in epitaxial Al/Co2TiSi/Al and Al/Co2TiGe/Al contactsIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 18, S. 184422Online Volltext: dx.doi.org/ (Open Access)
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Interplay of hydrogen treatment and nitrogen doping in ZnO nanoparticles : a first-principles studyIn: Nanotechnology Jg. 25 (2014) Nr. 14, S. 145204Online Volltext: dx.doi.org/
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As vacancies, Ga antisites, and Au impurities in zinc blende and wurtzite GaAs nanowire segments from first principlesIn: Physical Review B: Condensed matter and materials physics Jg. 87 (2013) Nr. 7, S. 075308-1 - 075308-11Online Volltext: dx.doi.org/
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Atomistic modeling of the Au droplet–GaAs interface for size-selective nanowire growthIn: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 15, S. 155309-1 - 155309-9Online Volltext: dx.doi.org/
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Comparison of density functionals for nitrogen impurities in ZnOIn: The Journal of Chemical Physics (JCP) Jg. 138 (2013) S. 234702-1 - 234702-8Online Volltext: dx.doi.org/
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Interface defects and impurities at the growth zone of Au-catalyzed GaAs nanowire from first principlesIn: Physica Status Solidi (RRL): Rapid Research Letters Jg. 7 (2013) Nr. 10, S. 882 - 885Online Volltext: dx.doi.org/
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Large Seebeck magnetic anisotropy in thin Co films embedded in Cu determined by ab initio investigationsIn: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 10, S. 104425Online Volltext: dx.doi.org/
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Mode conversion and long-lived vibrational modes in lead monolayers on silicon (111) after femtosecond laser excitation : a molecular dynamics simulationIn: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) S. 115419-1 - 115419-8Online Volltext: dx.doi.org/
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Strain stabilization and thickness dependence of magnetism in epitaxial transition metal monosilicide thin lms on Si(111).In: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 11, 115433-1 (13 pages)Online Volltext: dx.doi.org/
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Surface morphology of MnSi thin films grown on Si(111)In: Surface Science Jg. 617 (2013) S. 106 - 112Online Volltext: dx.doi.org/
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Theoretical prediction of improved figure-of-merit in Si/Ge quantum dot superlatticesIn: New Journal of Physics (NJP) Jg. 15 (2013) S. 125010Online Volltext: dx.doi.org/ (Open Access)
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Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studiesIn: Physical Review B: Condensed matter and materials physics Jg. 86 (2012) Nr. 5, S. 054441Online Volltext: dx.doi.org/
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Catalytic role of gold nanoparticle in GaAs nanowire growth : A density functional theory studyIn: Nano Letters Jg. 12 (2012) Nr. 2, S. 943 - 948Online Volltext: dx.doi.org/
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Growth mode and atomic structure of MnSi thin films on Si(111)In: Physical Review B: Condensed matter and materials physics Jg. 86 (2012) Nr. 11, S. 115428Online Volltext: dx.doi.org/
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Role of sidewall diffusion in GaAs nanowire growth : a first-principles studyIn: Physical Review B: Condensed matter and materials physics Jg. 86 (2012) Nr. 8, S. 085425Online Volltext: dx.doi.org/
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An analytic many-body potential for GaAs(001) homoepitaxy : bulk and surface propertiesIn: Physical Review B: Condensed matter and materials physics Jg. 83 (2011) Nr. 19, S. 195328Online Volltext: dx.doi.org/
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Calculation of the diameter-dependent polytypism in GaAs nanowires from an atomic motif expansion of the formation energyIn: Physical Review B: Condensed matter and materials physics Jg. 84 (2011) Nr. 7, S. 075455Online Volltext: dx.doi.org/
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Density functional study of carbon doping in ZnOIn: Semiconductor Science and Technology Jg. 26 (2011) Nr. 1, S. 014038Online Volltext: dx.doi.org/
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Isotopic effect on the vibrational lifetime of the carbon-deuterium stretch excitation on grapheneIn: The Journal of Chemical Physics (JCP) Jg. 135 (2011) Nr. 11, S. 114506Online Volltext: dx.doi.org/
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Effects of wetting layer structure on surface phase stability and on indium surface diffusionIn: Physica status solidi C: Current topics in solid state physics / 12th International Conference on the Formation of Semiconductor Interfaces: From Semiconductor to Nanoscience and Applications with Biology, ICFSI-12; Weimar; Germany; 5 July 2009 through 10 July 2009 Jg. 7 (2010) Nr. 2, S. 181 - 184Online Volltext: dx.doi.org/
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Electronic excitations in magnesium epitaxy: Experiment and theoryIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 15, 155420-1-9Online Volltext: dx.doi.org/
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Hydrogen vibrational modes on graphene and relaxation of the C–H stretch excitation from first-principles calculationsIn: The Journal of Chemical Physics (JCP) Jg. 133 (2010) Nr. 5, S. 054505/1-8Online Volltext: dx.doi.org/
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Indium-Gallium Segregation in CuIn_xGa_{1-x}Se_2: Ab Initio–Based Monte Carlo StudyIn: Physical Review Letters Jg. 105 (2010) Nr. 2, S. 025702/1-4Online Volltext: dx.doi.org/
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Influence of the substrate lattice structure on the formation of quantum well states in thin In and Pb films on siliconIn: Journal of Physics: Condensed Matter Jg. 22 (2010) Nr. 13, 135008Online Volltext: dx.doi.org/
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Magnetism in C or N-doped MgO and ZnO: density-functional study of impurity pairsIn: Physical Review Letters Jg. 105 (2010) Nr. 26, 267203/1-4Online Volltext: dx.doi.org/
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Modeling of minibands and electronic transport in one-dimensional stacks of InAs/GaAs quantum dotsIn: Physica E: Low-dimensional Systems and Nanostructures Jg. 42 (2010) Nr. 4, S. 906 - 910Online Volltext: dx.doi.org/
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Stable structure and magnetic state of ultrathin CrAs films on GaAs(001) : A density functional theory studyIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 21, S. 214417Online Volltext: dx.doi.org/ (Open Access)
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Theoretical investigation of the influence of isotope mass on chemicurrents during adsorption of H on K(110)In: Surface Science Jg. 604 (2010) Nr. 17-18, S. 1452 - 1458Online Volltext: dx.doi.org/
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Thermoelectric transport in periodic one-dimensional stacks of InAs/GaAs quantum dotsIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 4, 045318/1-10Online Volltext: dx.doi.org/
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Atomic processes in molecular beam epitaxy on strained InAs(137) : A density-functional theory studyIn: Physical Review B: Condensed matter and materials physics Jg. 80 (2009) Nr. 3, 035324/1-7Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Electron-hole spectra created by adsorption on metals from density functional theoryIn: Physical Review B: Condensed matter and materials physics Jg. 79 (2009) Nr. 16, S. 165407Online Volltext: dx.doi.org/ (Open Access)
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In adatom diffusion on InxGa1−xAs/GaAs(001) : effects of strain, reconstruction and compositionIn: Journal of Physics: Condensed Matter Jg. 21 (2009) Nr. 35, 355007Online Volltext: dx.doi.org/
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Indium Surface diffusion on InAs (2 x 4)-reconstructed wetting layers on GaAs(001)In: Physical Review B: Condensed matter and materials physics Jg. 79 (2009) 075302/1-7Online Volltext: dx.doi.org/
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Isotope Effects in the Vibrational Lifetime of Hydrogen on Germanium(100) : Theory and ExperimentIn: The Journal of Chemical Physics (JCP) Jg. 131 (2009) S. 124502Online Volltext: dx.doi.org/ Online Volltext
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Ordering of the nanoscale step morphology as a mechanism for droplet self-propulsionIn: Nano Letters Jg. 9 (2009) S. 2710 - 2714Online Volltext: dx.doi.org/
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Searching for Si-based spintronics by first principles calculationsIn: New Journal of Physics (NJP) Jg. 11 (2009) S. 125009Online Volltext: dx.doi.org/ (Open Access)
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Structural Stability and Magnetic and Electronic Properties of Co_2MnSi(001)/MgO Heterostructures: A Density-Functional Theory StudyIn: Physical Review Letters Jg. 103 (2009) S. 046802/1-4Online Volltext: dx.doi.org/
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Theory of shape evolution of InAs quantum dots on In0.5Ga0.5As/InP(001) substrateIn: New Journal of Physics (NJP) Jg. 11 (2009) S. 073018Online Volltext: dx.doi.org/ (Open Access)
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Thermodynamics of the Heusler alloy Co_2-x Mn_1+x Si: A combined density functional theory and cluster expansion studyIn: Physical Review B: Condensed matter and materials physics Jg. 79 (2009) 094407/1-9Online Volltext: dx.doi.org/
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Two-dimensional electron gases: Theory of ultrafast dynamics of electron-phonon interactions in graphene, surfaces, and quantum wellsIn: Journal of Applied Physics Jg. 105 (2009) S. 122409/1-7Online Volltext: dx.doi.org/
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Adsorption of Indium on a Indium wetting layer deposited on the GaAs(001) surfaceIn: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) 165323/1-11Online Volltext: dx.doi.org/
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Analytical Many-Body Potential for the Investigation of InAs/GaAs surfaces and nanostructures: Application to the formation energy of InAs quantum DotsIn: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) 235303/1-16Online Volltext: dx.doi.org/
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Atomarchitektur à la Monte Carlo : Oberflächen aus dem Baukasten des theoretischen PhysikersIn: Essener Unikate: Berichte aus Forschung und Lehre (2008) Nr. 32: Naturwissenschaften - Physik: Energieumwandlungen an Oberflächen, S. 100 - 109Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Atomistic Modeling of Surface Diffusion and Epitaxial GrowthIn: Oberwolfach reports : OWR Jg. 5 (2008) Nr. 2, S. 1108 - 1111Online Volltext: dx.doi.org/
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Comment on "Angular distributions of H-induced HD and D_2 desorptions from the Si(100) surfaces"In: The Journal of Chemical Physics (JCP) Jg. 128 (2008) 017101/1-4Online Volltext: dx.doi.org/
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Density-Functional Theory Study of Vibrational Relaxation of CO Stretching Excitation on Si(100)In: J. Chem. Phys. Jg. 129 (2008) S. 174702Online Volltext: dx.doi.org/
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Direct atomic scale imaging of III−V nanowire surfacesIn: Nano Letters Jg. 11 (2008) Nr. 8, S. 3978 - 3982Online Volltext: dx.doi.org/
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Exchange interactions and critical temperature of bulk and thin films of MnSi: A density functional theory studyIn: Physical Review B: Condensed matter and materials physics Jg. 78 (2008) 104402/1-9Online Volltext: dx.doi.org/
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Linking Density Functional Theory and Density Matrix Theory: picosecond electron relaxation at the Si(100) surfaceIn: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) 233305/1-4Online Volltext: dx.doi.org/
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Spin and orbital magnetism in ordered Fe3±δSi1∓δ binary Heusler structures : theory versus experimentIn: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) Nr. 10, 104430/1-5Online Volltext: dx.doi.org/
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Density-Functional Theory Study of Half-Metallic Heterostructures: Interstitial Mn in SiIn: Physical Review Letters Jg. 98 (2007) 117202/1-4Online Volltext: dx.doi.org/
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Density-functional study of Mn monosilicide on the Si(111) surface: Film formation versus island nucleationIn: Physical Review B: Condensed matter and materials physics Jg. 76 (2007) 235426/1-9Online Volltext: dx.doi.org/
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Diffusion Pathways of Hydrogen across the steps of a vicinal Si(001) surfaceIn: Physical Review B: Condensed matter and materials physics Jg. 75 (2007) 125424/1-6Online Volltext: dx.doi.org/
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Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding studyIn: Journal of Applied Physics Jg. 102 (2007) 023711/1-8Online Volltext: dx.doi.org/
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Elastic Response of Cubic Crystals to Biaxial Strain: Analytic Results and Comparison to Density Functional Theory for InAsIn: Physical Review B: Condensed matter and materials physics Jg. 75 (2007) Nr. 23, 235328/1-6Online Volltext: dx.doi.org/
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Electronic structure changes of Si(001)(2_1) from subsurface Mn observed by STM.In: Physical Review B: Condensed matter and materials physics Jg. 75 (2007) S. 205326
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Transition-metal silicides as materials for magnet-semiconductor heterostructuresIn: Journal of Applied Physics A Jg. 101 (2007) 081725/1-5Online Volltext: dx.doi.org/
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Control of fine-structure splitting and excitonic binding energies in selected individual InAs/GaAs quantum dotsIn: Applied Physics Letters Jg. 89 (2006) 263109/1-3Online Volltext: dx.doi.org/
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Epitaxy of Mn on Si(001): Adsorption, surface diffusion, and magnetic properties studied by density-functional theoryIn: Physical Review B: Condensed matter and materials physics Jg. 74 (2006) 205305/1-10Online Volltext: dx.doi.org/
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Surface reconstructions and atomic ordering in In_x Ga_1-x As(001) films: A density functional theory studyIn: Physical Review B: Condensed matter and materials physics Jg. 74 (2006) 245328/1-11Online Volltext: dx.doi.org/
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Preserving the half-metallicity at the Heusler alloyCo2MnSi(001)surface: : a density functional theory studyIn: Physical Review Letters Jg. 94 (2005) Nr. 9, S. 096402-1 - 096402-4Online Volltext: dx.doi.org/ Online Volltext
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Atomic structure of the GaAs(001)−(2×4) surface resolved using scanning tunneling microscopy and first-principles theory : a novel STM imaging mechanism used to resolve the atomic structure of the As-rich GaAs(001)-(2x4) surfaceIn: Physical Review Letters Jg. 83 (1999) Nr. 15, S. 2989 - 2992Online Volltext: dx.doi.org/ Online Volltext
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Formation and stability of self-assembled coherent Islands in highly mismatched heteroepitaxyIn: Physical Review Letters Jg. 82 (1999) Nr. 20, S. 4042 - 4045Online Volltext: dx.doi.org/ Online Volltext
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A theoretical study of CH 4 dissociation on pure and gold‐alloyed Ni(111) surfaces dissociation on pure and gold-alloyed Ni(111) surfacesIn: The Journal of Chemical Physics (JCP) Jg. 105 (1996) Nr. 13, S. 5595 - 5604Online Volltext: dx.doi.org/ Online Volltext
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Sequential Kibble-Zurek dynamics in the anisotropic Ising model of the Si(001) surface(2023)Online Volltext: dx.doi.org/ (Open Access)
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Tuning the properties and functionality of 2D-materials : From substitutional doping to Janus-MoSSeIn: Proceedings of the 2023 IEEE Nanotechnology Materials and Devices Conference (NMDC 2023) / IEEE Nanotechnology Materials and Devices Conference (NMDC 2023): 22-25 October 2023; Paestum, Italy / Institute of Electrical and Electronics Engineers Inc. (Hrsg.) 2023, S. 358 - 359Online Volltext: dx.doi.org/
-
Anisotropic magneto-thermopower in M/Co/M (M=Cu,Pd,Pt) trilayer systemsIn: NIC Symposium 2016, 11-12 February, Jülich, Germany: Proceedings / 8th NIC-Symposium In Memory of Walter Nadler, 11. and 12. February 2016 / Binder, Kurt; Müller, Marcus; Kremer, Manfred; Schnurpfeil, Alexander (Hrsg.) 2016, S. 217 - 224Online Volltext (Open Access)
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Ferromagnetic Heusler alloy thin films : Electronic properties and magnetic moment formationIn: Magnetic nanostructures: Spin dynamics and spin transport / Zabel, Hartmut; Farle, Michael (Hrsg.) 2013, S. 119 - 162Online Volltext: dx.doi.org/
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Monte Carlo and kinetic Monte Carlo Methods - a tutorialIn: Multiscale Simulation Methods in Molecular Sciences - Lecture Notes, NIC Series / Grotendorst, J.; Attig, N.; Blügel, S.; Marx, D. (Hrsg.) 2009, S. 51 - 76
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Theory of ultrafast dynamics of electron-phonon interactions in two dimensional electron gases: Semiconductor quantum wells, surfaces and grapheneIn: Advances in Solid State Physics / Haug, Rolf (Hrsg.) 2008, S. 281 - 292
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Thermodynamics and Kinetics of Quantum Dot GrowthIn: Semiconductor nanostructures / Bimberg, D. (Hrsg.) 2008, S. 1 - 39
