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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
Aktuelle Veranstaltungen
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SoSe 2025
- Project - Magnetic functional materials - Projekt zu Magnetische Funktionsmaterialien
- Mechanik in einer Dimension
- Magnetic functional materials - Magnetische Funktionsmaterialien
- Advanced topics in modelling quantum and energy materials
- Übung zu Mechanik in einer Dimension
- Exercise Group - Electrodynamics for Energy Science
- Ersatztermin Funktionsmaterialien
Vergangene Veranstaltungen (max. 10)
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WiSe 2024
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SoSe 2024
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, 2300319DOI (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 – 5606
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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, 119577DOI (Open Access)
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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, 031408DOI, Online Volltext (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, 064417DOI (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 – 145
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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, 118695DOI (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 – 426
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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, 174417DOI, Online Volltext (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, 013199DOI, 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, 043009DOI (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, DOI (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, 073903
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Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloysIn: Physical Review B , Jg. 105 2022, Nr. 17, 174434DOI, Online Volltext (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, 2700105DOI, Online Volltext (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, 025402DOI, Online Volltext (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, 214302
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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, 168728
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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, 2100270DOI (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, 144302DOI, Online Volltext (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, 195128DOI, Online Volltext (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, 064415DOI, Online Volltext (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, DOI (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. 195104DOI, Online Volltext (Open Access)
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Epitaxial strain adaptation in chemically disordered FeRh thin filmsIn: Physical Review B , Jg. 99 2019, Nr. 13, 134109DOI, Online Volltext (Open Access)
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Large thermopower anisotropy in PdCoO2 thin filmsIn: Physical Review Materials , Jg. 3 2019, Nr. 8, 085403
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Microscopic nonequilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructureIn: Physical Review B , Jg. 100 2019, Nr. 17, 174301DOI, Online Volltext (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. 065004DOI, Online Volltext (Open Access)
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Segregation tendency of Heusler alloysIn: Physical Review Materials , Jg. 3 2019, Nr. 8, S. 084413
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Tuning the magnetic and magnetocaloric properties of austenitic Ni-Mn-(In,Sn)HeuslersIn: Scripta Materialia , Jg. 170 2019, S. 48 – 51
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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, 024417DOI (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 – 1428DOI (Open Access)
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Magnetocaloric materials for refrigeration near room temperatureIn: MRS Bulletin , Jg. 43 2018, Nr. 4, S. 269 – 273
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Modulations in martensitic Heusler alloys originate from nanotwin orderingIn: Scientific Reports , Jg. 8 2018, Nr. 1, S. 8489DOI (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. 1700465DOI, Online Volltext (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. 1700296
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Properties and Decomposition of Heusler AlloysIn: Energy Technology , Jg. 6 2018, Nr. 8, S. 1478 – 1490
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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. 465005DOI (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, 064107DOI, Online Volltext (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 – 97DOI, 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. 165131DOI (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. 184431
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First-Principles and Monte Carlo Studies of Magnetocaloric EffectsIn: Advances in Science and Technology , Jg. 97 2016, S. 124 – 133
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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 – 3373
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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. 174435DOI (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. 20150308
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Scaling study and thermodynamic properties of the cubic helimagnet FeGeIn: Physical Review B , Jg. 94 2016, Nr. 14, S. 144424DOI, Online Volltext (Open Access)
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Tailoring magnetic frustration in strained epitaxial FeRh filmsIn: Physical Review B , Jg. 93 2016, Nr. 10, S. 104416DOI, Online Volltext (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)
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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 – 829
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Element-resolved thermodynamics of magnetocaloric lafe13-xsixIn: Physical Review Letters , Jg. 114 2015, Nr. 5, S. 057202DOI, Online Volltext (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, 2502504
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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. 235140DOI, Online Volltext (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. 02001DOI (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, 2502104
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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 – 197
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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)
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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. 184403DOI, Online Volltext (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
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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 – 2148
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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 – 2079
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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, 2506004
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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. 174116
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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. 65
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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 – S337
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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 – 1549
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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 – S112
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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 – 1297
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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 – 546
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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. 054441
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Basic Properties of Magnetic Shape-Memory Materials from First-Principles CalculationsIn: Metallurgical and Materials Transactions: A, physical Metallurgy and Materials Science , Jg. 43 2012, Nr. 8, S. 2891 – 2900
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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 – 288 -
Domain structure in the tetragonal phase of BaTiO3 : from bulk to nanoparticlesIn: Ferroelectrics , Jg. 426 2012, Nr. 1, S. 21 – 30
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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. 144305
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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 – 3529
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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 – 6930
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The Role of Adaptive Martensite in Magnetic Shape Memory AlloysIn: Advanced Engineering Materials , Jg. 14 2012, Nr. 8, S. 562 – 581
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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 – 749
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A guideline for atomistic design and understanding of ultrahard nanomagnetsIn: Nature Communications , Jg. 2 2011, S. 528DOI (Open Access)
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Designing shape-memory Heusler alloys from first-principlesIn: Applied Physics Letters (APL) , Jg. 99 2011, Nr. 19, S. 191904
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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. 214415
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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. 206105
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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 – 172DOI (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. 072038
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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. 474008
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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. 214421
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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. 072039
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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, 064420
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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, 094411
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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. 072021
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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, 064109
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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, 054418
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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 – 148
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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 – 143
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The ferromagnetic shape memory system Fe–Pd–CuIn: Acta Materialia , Jg. 58 2010, Nr. 18, S. 5949 – 5961
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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, 064228
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Simulating functional magnetic materials on supercomputersIn: Journal of Physics: Condensed Matter , Jg. 21 2009, Nr. 29, 293201
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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 – 864DOI, 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 – 3968
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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, 245438
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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, 035702
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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 – 3831
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Antiferromagnetism and segregation in cuboctahedral FePt nanoparticlesIn: Journal of Physics D: Applied Physics , Jg. 41 2008, Nr. 13, S. 134015
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First-principles investigations of multimetallic transition metal clustersIn: Philosophical Magazine , Jg. 88 2008, Nr. 18-20, S. 2725 – 2738
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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 – 198
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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 – 261
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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 – 184427-11
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Multiply twinned morphologies of FePt and CoPt nanoparticlesIn: Physical Review Letters , Jg. 100 2008, S. 087203
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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 – 2763
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Magnetic properties of nanostructured hollow microspheresIn: Journal of Magnetism and Magnetic Materials , Jg. 310 2007, Nr. 2, S. 2453 – 2455
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Shellwise Mackay Transformation in Iron NanoclustersIn: Physical Review Letters , Jg. 99 2007, 083402
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Magnetism of close packed Fe147 clustersIn: Phase Transitions , Jg. 79 2006, Nr. 9-10, S. 701 – 707
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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 – 889
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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 – 716
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Domain formation in hollow spherical Invar nano-particlesIn: Phase Transitions , Jg. 78 2005, Nr. 9 - 11, S. 711 – 721
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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 – 750
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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 – 217
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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. 064415
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Modeling Structural and Magnetic Phase Transitions in Iron-Nickel NanoparticlesIn: Phase Transitions , Jg. 76 2003, Nr. 4 & 5, S. 355 – 365
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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 – 230
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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 – 119
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Monte Carlo simulations of magnetovolume instabilities in anti-Invar systemsIn: Computational Materials Science , Jg. 10 1998, Nr. 1-4, S. 230 – 234
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Magnetic states of the Ni1.75Co0.25Mn1.25Cr0.25In0.5 Heusler alloyIn: 2015 IEEE International Magnetics Conference (INTERMAG 2015): Vol. 1 / 2015 IEEE International Magnetics Conference ; INTERMAG 2015 ; Beijing, China, 11 - 15 May 2015 2015, S. 262
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Probing glassiness in Heuslers via density functional theory calculationsIn: Frustrated Materials and Ferroic Glasses 2018, S. 153 – 182
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First-principles calculations of magnetic properties of Cr-doped Ni45Co5Mn37In13 Heusler alloysIn: 2015 IEEE International Magnetics Conference, INTERMAG 2015: Vol. 1 / 2015 IEEE International Magnetics Conference ; INTERMAG 2015 ; Beijing, China, 11 - 15 May 2015 2015, S. 292
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First-principles calculations of magnetic properties of Cr-doped Ni45Co5Mn37In13 Heusler alloysIn: IEEE Magnetics Conference (INTERMAG), 2015 / IEEE International Magnetics Conference, 11 - 15 May 2015, Beijing, China 2015
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Nanometre-Scale ab initio investigations of functional magnetic materialsIn: NIC Symposium 2014: Proceedings / John von Neumann Institute for Computing ; NIC ; 12-13 February 2014, Jülich / Binder, Kurt; Münster, Gernot; Kremer, Manfred (Hrsg.) 2014, S. 215 – 222(Open Access)
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Absence of ferromagnetic interaction in Co-Co nearest neighbor impurity pairs in ZnO: An analysis from GGA+U studiesIn: Functional Materials: Proceedings of the International Workshop on Functional Materials (IWFM-2011) / International Workshop on Functional Materials, Berhampur, Odisha, India, 20 - 22 December 2011 / Bose, Shyamalendu M.; Tripathy, S. K. (Hrsg.) 2012, S. 261 – 266
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First-principles investigations of caloric effects in ferroic materialsIn: Functional Materials: Proceedings of the International Workshop on Functional Materials (IWFM-2011) / International Workshop on Functional Materials (IWFM-2011), 20–22 December 2011, Berhampur, Odisha, India / Bose, Shyamalendu M.; Tripathy, S. K. (Hrsg.) 2012, S. 11 – 23
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Magnetic Interactions Governing the Inverse Magnetocaloric Effect in Martensitic Ni–Mn-Based Shape-memory AlloysIn: Disorder and Strain-Induced Complexity in Functional Materials / Kakeshita, Tomoyuki; Fukuda, Takashi; Saxena, Avadh; Planes, Antoni (Hrsg.) 2012, S. 67 – 77
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Nucleation, structure and magnetism of transition metal clusters from first principlesIn: Nanoparticles from the gasphase: formation, structure, properties / Lorke, Axel; Winterer, Markus; Schmechel, Roland; Schulz, Christof (Hrsg.) 2012, S. 77 – 98
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Phase Diagrams of Conventional and Inverse Functional Magnetic Heusler Alloys : New Theoretical and Experimental InvestigationsIn: Disorder and Strain-Induced Complexity in Functional Materials / Kakeshita, Tomoyuki; Fukuda, Takashi; Saxena, Avadh; Planes, Antoni (Hrsg.) 2012, S. 19 – 47
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Ab-initio modeling of Fe-Mn based alloys and nanoclustersIn: New Methods in Steel Design: Steel Ab Initio / 2010 MRS Fall Meeting, November 29 - December 3, 2010 Boston, Massachusetts, USA 2011, S. 80 – 91
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Composition-Dependent basics of smart Heusler materials from first-principles calculationsIn: Advances in Magnetic Shape Memory Materials: special topic volume with invited peer reviewed papers only / Chernenko, V.A. 2011, S. 1 – 29
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From Tiny Magnetic Clusters to Functional Magnetic MaterialsIn: International Conference on Advances in Condensed and Nano Materials / ICACNM‐2011; Chandigarh India; 23 – 26 February 2011 / Tripathi, S. K.; Dharamvir, Keya; Kumar, Ranjan; Saini, G. S. S. (Hrsg.) 2011, S. 50 – 53
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First-principles study of ferromagnetic Ni2CoGa(Zn) alloys in the Heusler and the inverse Heusler structureIn: Materials Research Society Symposium Proceedings / 2009 MRS Fall Meeting; Boston, MA; United States; 30 November 2009 through 4 December 2009 / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.) , Jg. 1200 2010, S. 79 – 85
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First-principles study of static displacements in Fe-Pd magnetic shape-memory alloysIn: Materials Research Society Symposium Proceedings / 2009 MRS Fall Meeting; Boston, MA; United States; 30 November 2009 through 4 December 2009 / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.) 2010, S. 13 – 18
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Fundamental Aspects of Magnetic Shape Memory Alloys : Insights from Ab Initio and Monte Carlo StudiesIn: Ferromagnetic Shape Memory Alloys II / 2nd International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA), 1–3 July 2009, Bilbao, Spain / Chernenko, V. A.; Barandiaran, J. M. (Hrsg.) 2010, S. 3 – 12
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New Functional Magnetic Shape Memory Alloys from First-Principles CalculationsIn: Magnetic shape memory alloys / MRS fall meeting: Symposium G: Magnetic Shape Memory Alloys; 2009.11.30-12.04; Boston, USA / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.) 2010 , 1200-G04-01
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A first-principles study of the martensitic instabilities in magnetic shape memory alloysIn: Magnetic shape memory alloys / MRS Fall Meeting, November 26-30, 2007 Boston, USA 2008, S. 36 – 40
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Large-Scale First-Principles Calculations of Magnetic NanoparticlesIn: NIC Symposium 2008 / Münster, Gernot; Wolf, Dietrich; Kremer, Manfred (Hrsg.) 2008, S. 161 – 168
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Shape Memory Alloys : A Summary of Recent AchievementsIn: Advances in shape memory materials: Magnetic shape memory alloys : special topic volume, invited papers only / Chernenko, V. A. (Hrsg.) 2008, S. 21 – 42
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Simulating structure, magnetism and electronic properties of monoatomic, binary and ternary transition metal nanoclustersIn: Mesoscopic, nanoscopic, and macroscopic materials: Proceedings of the International Workshop on Mesoscopic, Nanoscopic, and Macroscopic Materials (IWMNMM-2008), Bhubaneswar, India, 2 - 4 January 2008 / Bose, Shyamalendu M.; Behera, Surjyu Narayana; Roul, B. K. (Hrsg.) 2008, S. 3 – 17
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Structural and Magnetic Properties of Transition Metal Nanoparticles from First PrinciplesIn: Advances in Solid State Physics 2008, S. 117 – 128
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Massively Parallel Density Functional Theory Calculations of Large Transition Metal ClustersIn: Recent Progress in Computational Sciences and Engineering / Simos, Theodore; Maroulis, George (Hrsg.) 2006, S. 173 – 176
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Supercomputer Based ab initio Investigations of Martensitically Transforming AlloysIn: NIC Symposium 2006 (NIC Series; Vol. 32) / Münster, Gernot; Wolf, Dietrich; Kremer, Manfred (Hrsg.) 2006, S. 159 – 166
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Understanding the functional properties of nanostructured magnetic materials from first-principlesDuisburg, Essen 2014Online Volltext (Open Access)
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Monte-Carlo-Simulationen von Magnetovolumeneffekten in Festkörpern und Nanopartikeln2003