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Fakultät für Physik, Theoretische Physik
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Mülheimer Str
47057 Duisburg
47057 Duisburg
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ME 128
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Wissenschaftliche/r Mitarbeiter/in, Arbeitsgruppe Prof. Pentcheva
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Stellv. Mitglied Gruppe der Hochschullehrerinnen und Hochschullehrer, Fakultätsrat Physik
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2024 WS
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2024 SS
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2023 WS
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2023 SS
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.
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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)
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Impact of swaps on Mössbauer characteristics of Ni₂MnSn : an experimental and quantum-mechanical studyIn: Journal of Materials Science Jg. 59 (2024) Nr. 13, S. 5595 - 5606Online Volltext: dx.doi.org/
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Martensitic phase transformation in short-range ordered Fe₅₀Rh₅₀ system induced by thermal stress and mechanical deformationIn: Acta Materialia Jg. 264 (2024) 119577Online Volltext: dx.doi.org/
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A multi-stage, first-order phase transition in LaFe₁₁.₈Si₁.₂ : Interplay between the structural, magnetic, and electronic degrees of freedomIn: Applied Physics Reviews Jg. 10 (2023) Nr. 3, 031408Online Volltext: dx.doi.org/ (Open Access)
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Annealing time, temperature, and field dependence of pinned magnetic moments in the collinear antiferromagnet PdMnIn: Physical Review B Jg. 108 (2023) Nr. 6, 064417Online Volltext: dx.doi.org/ (Open Access)
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Atomic Ordering in Fe₂NiZ (Z = Al, Ga, In, Sn) Alloys : Effects on the Anisotropy and Properties of the Ground StateIn: The Physics of Metals and Metallography Jg. 124 (2023) Nr. 2, S. 138 - 145Online Volltext: dx.doi.org/
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Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling : A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloysIn: Acta Materialia Jg. 246 (2023) 118695Online Volltext: dx.doi.org/ (Open Access)
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Effect of Layered Atomic Ordering on the Magnetic Properties of Fe2Ni-Based Heusler Alloys : Insights from Ab Initio SimulationsIn: Shape Memory and Superelasticity Jg. 9 (2023) Nr. 3, S. 420 - 426Online Volltext: dx.doi.org/
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Emergence of net magnetization by magnetic field biased diffusion in antiferromagnetic L10 NiMnIn: Physical Review B Jg. 107 (2023) Nr. 17, 174417Online Volltext: dx.doi.org/ (Open Access)
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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)
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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)
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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)
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Chemical long range ordering in all-d-metal Heusler alloysIn: Journal of Applied Physics Jg. 131 (2022) Nr. 7, 073903Online Volltext: dx.doi.org/
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Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloysIn: Physical Review B Jg. 105 (2022) Nr. 17, 174434Online Volltext: dx.doi.org/ (Open Access)
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Electronic and Vibrational Properties of Fe2NiAl and Co2NiAl Full Heusler Alloys : A First-Principles ComparisonIn: IEEE Transactions on Magnetics (T-MAG) Jg. 58 (2022) Nr. 8, 2700105Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ (Open Access)
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Impact of local arrangement of Fe and Ni on the phase stability and magnetocrystalline anisotropy in Fe-Ni-Al Heusler alloysIn: Physical Review Materials Jg. 6 (2022) Nr. 2, 025402Online Volltext: dx.doi.org/ (Open Access)
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Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloysIn: Physical Review B Jg. 106 (2022) Nr. 21, 214302Online Volltext: dx.doi.org/
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Magnetic and structural properties of Co-Ni-Z (Z= Al, Ga, In, Sn) Heusler alloys : Effect of structural motives and chemical disorderIn: Journal of Magnetism and Magnetic Materials Jg. 546 (2022) 168728Online Volltext: dx.doi.org/
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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)
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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)
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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)
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Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe11.4Si1.6H1.6In: Physical Review B Jg. 101 (2020) Nr. 6, 064415Online Volltext: dx.doi.org/ (Open Access)
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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)
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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)
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Epitaxial strain adaptation in chemically disordered FeRh thin filmsIn: Physical Review B Jg. 99 (2019) Nr. 13, 134109Online Volltext: dx.doi.org/ (Open Access)
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Large thermopower anisotropy in PdCoO2 thin filmsIn: Physical Review Materials Jg. 3 (2019) Nr. 8, 085403Online Volltext: dx.doi.org/
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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)
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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)
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Segregation tendency of Heusler alloysIn: Physical Review Materials Jg. 3 (2019) Nr. 8, S. 084413Online Volltext: dx.doi.org/
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Tuning the magnetic and magnetocaloric properties of austenitic Ni-Mn-(In,Sn)HeuslersIn: Scripta Materialia Jg. 170 (2019) S. 48 - 51Online Volltext: dx.doi.org/
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Determining the vibrational entropy change in the giant magnetocaloric material LaFe₁₁.₆Si₁.₄ by nuclear resonant inelastic x-ray scatteringIn: Physical Review B Jg. 98 (2018) Nr. 2, 024417Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to ApplicationsIn: Energy Technology Jg. 6 (2018) Nr. 8, S. 1397 - 1428Online Volltext: dx.doi.org/ (Open Access)
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Magnetocaloric materials for refrigeration near room temperatureIn: MRS Bulletin Jg. 43 (2018) Nr. 4, S. 269 - 273Online Volltext: dx.doi.org/
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Modulations in martensitic Heusler alloys originate from nanotwin orderingIn: Scientific Reports Jg. 8 (2018) Nr. 1, S. 8489Online Volltext: dx.doi.org/ (Open Access)
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Moment-Volume Coupling in La(Fe₁−ₓSiₓ)₁₃In: Physica Status Solidi (B): Basic Solid State Physics Jg. 255 (2018) Nr. 2, S. 1700465Online Volltext: dx.doi.org/ (Open Access)
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Probing structural and magnetic instabilities and hysteresis in Heuslers by density functional theory calculationsIn: Physica Status Solidi (B): Basic Solid State Physics Jg. 255 (2018) Nr. 2, S. 1700296Online Volltext: dx.doi.org/
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Properties and Decomposition of Heusler AlloysIn: Energy Technology Jg. 6 (2018) Nr. 8, S. 1478 - 1490Online Volltext: dx.doi.org/
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Electronic structure and magnetism of epitaxial Ni–Mn–Ga(-Co) thin films with partial disorder : a view across the phase transitionIn: Journal of Physics D: Applied Physics Jg. 50 (2017) Nr. 46, S. 465005Online Volltext: dx.doi.org/ (Open Access)
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Interplay of phase sequence and electronic structure in the modulated martensites of Mn2NiGa from first-principles calculationsIn: Physical Review B Jg. 96 (2017) Nr. 6, 064107Online Volltext: dx.doi.org/ (Open Access)
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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)
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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)
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Contradictory role of the magnetic contribution in inverse magnetocaloric Heusler materialsIn: Physical Review B Jg. 93 (2016) Nr. 18, S. 184431Online Volltext: dx.doi.org/
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First-Principles and Monte Carlo Studies of Magnetocaloric EffectsIn: Advances in Science and Technology Jg. 97 (2016) S. 124 - 133Online Volltext: dx.doi.org/
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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/
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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)
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Mastering hysteresis in magnetocaloric materialsIn: Philosophical Transactions of the Royal Society of London A: Mathematical, Physical and Engineering Sciences Jg. 374 (2016) Nr. 2074, S. 20150308Online Volltext: dx.doi.org/
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Scaling study and thermodynamic properties of the cubic helimagnet FeGeIn: Physical Review B Jg. 94 (2016) Nr. 14, S. 144424Online Volltext: dx.doi.org/ (Open Access)
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Tailoring magnetic frustration in strained epitaxial FeRh filmsIn: Physical Review B Jg. 93 (2016) Nr. 10, S. 104416Online Volltext: dx.doi.org/ (Open Access)
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Achieving large magnetocaloric effects in Co- and Cr-substituted Heusler alloys : Predictions from first-principles and Monte Carlo studiesIn: Physical Review B: Condensed matter and materials physics Jg. 91 (2015) Nr. 22, 220409(R)Online Volltext: dx.doi.org/
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Effect of substitution on elastic stability, electronic structure and magnetic property of Ni-Mn based Heusler alloys : an ab initio comparisonIn: Journal of Alloys and Compounds (2015) Nr. 632, S. 822 - 829Online Volltext: dx.doi.org/
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Element-resolved thermodynamics of magnetocaloric lafe13-xsixIn: Physical Review Letters Jg. 114 (2015) Nr. 5, S. 057202Online Volltext: dx.doi.org/ (Open Access)
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First-Principles Calculations of Magnetic Properties of Cr-Doped Ni45Co5Mn37In13 Heusler AlloysIn: IEEE Transactions on Magnetics (T-MAG) Jg. 51 (2015) Nr. 11, 2502504Online Volltext: dx.doi.org/
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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)
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Large magnetocaloric effects in magnetic intermetallics : First-principles and Monte Carlo studiesIn: MATEC Web of Conferences Jg. 33 (2015) Nr. ESOMAT 2015 – 10th European Symposium on Martensitic Transformations, S. 02001Online Volltext: dx.doi.org/ (Open Access)
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Magnetic states of the Ni1.75Co0.25Mn1.25Cr0.25In0.5 Heusler alloyIn: IEEE Transactions on Magnetics (T-MAG) Jg. 51 (2015) Nr. 11, 2502104Online Volltext: dx.doi.org/
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The metamagnetic behavior and giant inverse magnetocaloric effect in Ni–Co–Mn–(Ga, In, Sn) Heusler alloysIn: Journal of Magnetism and Magnetic Materials Jg. 385 (2015) S. 193 - 197Online Volltext: dx.doi.org/
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Chemically ordered decahedral FePt nanocrystals observed by electron microscopyIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 16, 161406(R)Online Volltext: dx.doi.org/
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First-principles calculation of the instability leading to giant inverse magnetocaloric effectsIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 18, S. 184403Online Volltext: dx.doi.org/ (Open Access)
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First-principles studies on graphene-supported transition metal clustersIn: The Journal of Chemical Physics (JCP) Jg. 141 (2014) Nr. 7,Online Volltext: dx.doi.org/
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Interacting magnetic cluster-spin glasses and strain glasses in Ni–Mn based Heusler structured intermetallicsIn: Physica Status Solidi (B): Basic Solid State Physics Jg. 251 (2014) Nr. 10, S. 2135 - 2148Online Volltext: dx.doi.org/
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Magnetoelastic coupling and the formation of adaptive martensite in magnetic shape memory alloysIn: Physica Status Solidi (B): Basic Solid State Physics Jg. 251 (2014) Nr. 10, S. 2067 - 2079Online Volltext: dx.doi.org/
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Optimizing the magnetocaloric effect in Ni-Mn-Sn by substitution : A first-principles studyIn: IEEE Transactions on Magnetics (T-MAG) Jg. 50 (2014) Nr. 11, 2506004Online Volltext: dx.doi.org/
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Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni2MnGa and Mn2NiGaIn: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 17, S. 174116Online Volltext: dx.doi.org/
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Complex magnetic ordering as a driving mechanism of multifunctional properties of Heusler alloys from first principlesIn: The European Physical Journal B: Condensed Matter and Complex Systems Jg. 86 (2013) Nr. 2, S. 65Online Volltext: dx.doi.org/
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Compositional trends and magnetic excitations in binary and ternary Fe-Pd-X magnetic shape memory alloysIn: Journal of Alloys and Compounds Jg. 577 (2013) Nr. Suppl. 1, S. S333 - S337Online Volltext: dx.doi.org/
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Interaction of Phase Transformation and Magnetic Properties of Heusler Alloys: A Density Functional Theory StudyIn: JOM: The Journal of the Minerals, Metals & Materials Society Jg. 65 (2013) Nr. 11, S. 1540 - 1549Online Volltext: dx.doi.org/
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Optimization of smart Heusler alloys from first principlesIn: Journal of Alloys and Compounds Jg. 577 (2013) Nr. Suppl. 1, S. S107 - S112Online Volltext: dx.doi.org/
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Trends in spin and orbital magnetism of free and encapsulated FePt nanoparticlesIn: Physica Status Solidi (A) - Applications and Materials Science Jg. 210 (2013) Nr. 7, S. 1282 - 1297Online Volltext: dx.doi.org/
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A First‐Principles Investigation of the Compositional Dependent Properties of Magnetic Shape Memory Heusler AlloysIn: Advanced Engineering Materials Jg. 14 (2012) Nr. 8, S. 530 - 546Online Volltext: dx.doi.org/
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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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Basic Properties of Magnetic Shape-Memory Materials from First-Principles CalculationsIn: Metallurgical and Materials Transactions A Jg. 43 (2012) Nr. 8, S. 2891 - 2900Online Volltext: dx.doi.org/
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Competition between ordering, twinning, and segregation in binary magnetic 3d-5d nanoparticles : a supercomputing perspective
International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology, February 25 to March 1, 2011, St. Simons, Ga.,In: International Journal of Quantum Chemistry Jg. 112 (2012) Nr. 1, S. 277 - 288Online Volltext: dx.doi.org/ -
Domain structure in the tetragonal phase of BaTiO3 : from bulk to nanoparticlesIn: Ferroelectrics Jg. 426 (2012) Nr. 1, S. 21 - 30Online Volltext: dx.doi.org/
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Effect of temperature and compositional changes on the phonon properties of Ni-Mn-Ga shape memory alloysIn: Physical Review B: Condensed matter and materials physics Jg. 86 (2012) Nr. 14, S. 144305Online Volltext: dx.doi.org/
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Electronic and magnetic trends in martensitically transforming Fe–Pd alloysIn: Journal of Magnetism and Magnetic Materials Jg. 324 (2012) Nr. 21, S. 3524 - 3529Online Volltext: dx.doi.org/
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Enhancing magnetocrystalline anisotropy of the Fe70Pd30 magnetic shape memory alloy by adding CuIn: Acta materialia Jg. 60 (2012) Nr. 20, S. 6920 - 6930Online Volltext: dx.doi.org/
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The Role of Adaptive Martensite in Magnetic Shape Memory AlloysIn: Advanced Engineering Materials Jg. 14 (2012) Nr. 8, S. 562 - 581Online Volltext: dx.doi.org/
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Understanding the Magnetic Shape Memory System Fe–Pd–X by Thin Film Experiments and First Principle CalculationsIn: Advanced Engineering Materials Jg. 14 (2012) Nr. 8, S. 724 - 749Online Volltext: dx.doi.org/
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A guideline for atomistic design and understanding of ultrahard nanomagnetsIn: Nature Communications Jg. 2 (2011) S. 528Online Volltext: dx.doi.org/ (Open Access)
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Designing shape-memory Heusler alloys from first-principlesIn: Applied Physics Letters (APL) Jg. 99 (2011) Nr. 19, S. 191904Online Volltext: dx.doi.org/
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Impact of local lattice distortions on the structural stability of Fe-Pd magnetic shape-memory alloysIn: Physical Review B: Condensed matter and materials physics Jg. 83 (2011) Nr. 21, S. 214415Online Volltext: dx.doi.org/
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Magnetic nanostructures by adaptive twinning in strained epitaxial filmsIn: Physical Review Letters Jg. 107 (2011) Nr. 20, 1-5, art. no. 206105Online Volltext: dx.doi.org/
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Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principlesIn: Beilstein Journal of Nanotechnology Jg. 2 (2011) S. 162 - 172Online Volltext: dx.doi.org/ (Open Access)
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A comparative study of (Fe, Fe3Si)/GaAs and Heusler/MgO for spintronics applicationsIn: Journal of Physics: Conference Series (JPCONF) Jg. 200 (2010) Nr. 7, S. 072038Online Volltext: dx.doi.org/
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Chemical trends in structure and magnetism of bimetallic nanoparticles from atomistic calculationsIn: Journal of Physics D: Applied Physics Jg. 43 (2010) Nr. 47, S. 474008Online Volltext: dx.doi.org/
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Competing structural ordering tendencies in Heusler-type alloys with high Curie temperatures : Fe2CoGa1-xZnx studied by first-principles calculationsIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 21, S. 214421Online Volltext: dx.doi.org/
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Core-shell morphologies of FePt and CoPt nanoparticles : An ab initio comparisonIn: Journal of Physics: Conference Series (JPCONF) Jg. 200 (2010) Nr. 7, S. 072039Online Volltext: dx.doi.org/
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Electronic structure and lattice dynamics of the magnetic shape-memory alloy Co2NiGaIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 6, 064420Online Volltext: dx.doi.org/
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First-principles and Monte Carlo study of magnetostructural transition and magnetocaloric properties of Ni2+xMn1−xGaIn: Physical Review B: Condensed matter and materials physics Jg. 81 (2010) Nr. 9, 094411Online Volltext: dx.doi.org/
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First-principles study of the structural stability of L11 order in Pt-based alloyIn: Journal of Physics: Conference Series (JPCONF) Jg. 200 (2010) Nr. 7, S. 072021Online Volltext: dx.doi.org/
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Lattice dynamics and structural stability of ordered Fe3Ni, Fe3Pd and Fe3Pt alloys using density functional theoryIn: Physical Review B: Condensed matter and materials physics Jg. 81 (2010) Nr. 6, 064109Online Volltext: dx.doi.org/
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Magnetic properties of small Pt-capped Fe, Co, and Ni clusters : A density functional theory studyIn: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 5, 054418Online Volltext: dx.doi.org/
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Structural ordering tendencies in the new ferromagnetic Ni-Co-Fe-Ga-Zn Heusler alloysIn: Physics Procedia Jg. 10 (2010) S. 144 - 148Online Volltext: dx.doi.org/
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Structure, lattice dynamics and Fermi surface of the magnetic shape memory system Co-Ni-Ga from first principles calculationsIn: Physics Procedia Jg. 10 (2010) S. 138 - 143Online Volltext: dx.doi.org/
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The ferromagnetic shape memory system Fe–Pd–CuIn: Acta Materialia Jg. 58 (2010) Nr. 18, S. 5949 - 5961Online Volltext: dx.doi.org/
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Large-scale ab initio simulations of binary transition metal clusters for storage media materialsIn: Journal of Physics: Condensed Matter Jg. 21 (2009) Nr. 6, 064228Online Volltext: dx.doi.org/
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Simulating functional magnetic materials on supercomputersIn: Journal of Physics: Condensed Matter Jg. 21 (2009) Nr. 29, 293201Online Volltext: dx.doi.org/
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Structure and magnetism of near-stoichiometric FePd nanoparticlesIn: Journal of Magnetism and Magnetic Materials Jg. 321 (2009) Nr. 7, S. 861 - 864Online Volltext: dx.doi.org/ Online Volltext (Open Access)
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Suitability of Fe/GaAs and (Co,Ni)Mn(Ga,Ge) for Spintronics Applications : An Ab Initio StudyIn: IEEE Transactions on Magnetics (T-MAG) Jg. 45 (2009) Nr. 10, S. 3965 - 3968Online Volltext: dx.doi.org/
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Surface energies of stoichiometric FePt and CoPt alloys and their implications for nanoparticle morphologiesIn: Physical Review B: Condensed matter and materials physics Jg. 80 (2009) Nr. 24, 245438Online Volltext: dx.doi.org/
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Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principlesIn: Physical Review Letters Jg. 102 (2009) Nr. 3, 035702Online Volltext: dx.doi.org/
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Ab initio investigation of twin boundary motion in the magnetic shape memory Heusler alloy Ni2MnGaIn: Journal of Materials Science Jg. 43 (2008) Nr. 11, S. 3825 - 3831Online Volltext: dx.doi.org/
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Antiferromagnetism and segregation in cuboctahedral FePt nanoparticlesIn: Journal of Physics D: Applied Physics Jg. 41 (2008) Nr. 13, S. 134015Online Volltext: dx.doi.org/
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First-principles investigations of multimetallic transition metal clustersIn: Philosophical Magazine Jg. 88 (2008) Nr. 18-20, S. 2725 - 2738Online Volltext: dx.doi.org/
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Influence of magnetism on the structural stability of cubic L21 Ni2MnGaIn: The European Physical Journal - Special Topics: Special Topics Jg. 158 (2008) Nr. 1, S. 193 - 198Online Volltext: dx.doi.org/
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Magnetic-field-induced changes in magnetic shape memory alloysIn: Materials Science and Engineering A: Structural Materials: Properties, Microstructure and Processing Jg. 481-482 (2008) S. 258 - 261Online Volltext: dx.doi.org/
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Monte Carlo study of the influence of antiferromagnetic exchange interactions on the phase transitions of ferromagnetic Ni-Mn-X alloys (X=In,Sn,Sb)In: Physical Review B: Condensed matter and materials physics Jg. 78 (2008) S. 184427-1 - 184427-11Online Volltext: dx.doi.org/
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Multiply twinned morphologies of FePt and CoPt nanoparticlesIn: Physical Review Letters Jg. 100 (2008) S. 087203Online Volltext: dx.doi.org/
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Simulating functional magnetic materials on supercomputersIn: Psi-k Newsletter Jg. 89 (2008) S. 36 - 83
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Ab Initio Simulations of Functional Magnetic MaterialsIn: inSiDE - Innovatives Supercomputing in Deutschland Jg. 5 (2007) Nr. 2, S. 34 - 39
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Ab initio modeling of martensitic transformations (MT) in magnetic shape memory alloysIn: Journal of Magnetism and Magnetic Materials Jg. 310 (2007) Nr. 2, S. 2761 - 2763Online Volltext: dx.doi.org/
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Magnetic properties of nanostructured hollow microspheresIn: Journal of Magnetism and Magnetic Materials Jg. 310 (2007) Nr. 2, S. 2453 - 2455Online Volltext: dx.doi.org/
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Shellwise Mackay Transformation in Iron NanoclustersIn: Physical Review Letters Jg. 99 (2007) 083402Online Volltext: dx.doi.org/
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Magnetism of close packed Fe147 clustersIn: Phase Transitions Jg. 79 (2006) Nr. 9-10, S. 701 - 707Online Volltext: dx.doi.org/
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Modelling the phase diagram of magnetic shape memory Heusler alloysIn: Journal of Physics D: Applied Physics Jg. 39 (2006) Nr. 5, S. 865 - 889Online Volltext: dx.doi.org/
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Possible one-dimensional structures obtained from transition metal atom doped silicon nanoclustersIn: Phase Transitions Jg. 79 (2006) Nr. 9-10, S. 709 - 716Online Volltext: dx.doi.org/
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Domain formation in hollow spherical Invar nano-particlesIn: Phase Transitions Jg. 78 (2005) Nr. 9 - 11, S. 711 - 721Online Volltext: dx.doi.org/
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Preparation and properties of nanostructured magnetic hollow microspheres: experiment and simulationIn: Phase Transitions Jg. 78 (2005) Nr. 9 - 11, S. 741 - 750Online Volltext: dx.doi.org/ Online Volltext
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Simulation of the (p, T) phase diagram of the temperature-driven metamagnet alpha-FeRhIn: Phase Transitions Jg. 78 (2005) Nr. 1 - 3, S. 209 - 217Online Volltext: dx.doi.org/ Online Volltext
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Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α-FeRhIn: Physical Review B: Condensed matter and materials physics Jg. 67 (2003) S. 064415Online Volltext: dx.doi.org/ Online Volltext
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Modeling Structural and Magnetic Phase Transitions in Iron-Nickel NanoparticlesIn: Phase Transitions Jg. 76 (2003) Nr. 4 & 5, S. 355 - 365Online Volltext: dx.doi.org/
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High-moment - low-moment description of magnetovolume effects in Y(MnxAl1-x)2 and YxSc1-xAl2In: Phase Transitions Jg. 75 (2002) Nr. 1 & 2, S. 221 - 230Online Volltext: dx.doi.org/ Online Volltext
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Simulation of Magnetovolume Effects in Fe65Ni35 NanoparticlesIn: Progress of Theoretical Physics Supplement Jg. 138 (2000) S. 154 - 155
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Monte Carlo simulations of high-moment : low-moment transitions in Invar alloysIn: The European Physical Journal B: Condensed Matter and Complex Systems Jg. 2 (1998) Nr. 1, S. 107 - 119Online Volltext: dx.doi.org/
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