Olle Eriksson
Professor at Department of Physics and Astronomy; Materials Theory
- Telephone:
- +46 18 471 36 25
- Mobile phone:
- +46 70 425 07 77
- E-mail:
- olle.eriksson@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
- Postal address:
- Box 516
751 37 UPPSALA
Professor at Department of Physics and Astronomy; Materials Theory; Materials Theory
- Telephone:
- +46 18 471 36 25
- Mobile phone:
- +46 70 425 07 77
- E-mail:
- olle.eriksson@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
- Postal address:
- Box 516
751 37 UPPSALA
Biography
Research Interests
First principles calculations of bulk and surfaces, including magnetism and chemical bonding. Methods of use are based on full-potential implementations of density functional theory, dynamical mean-field theory, and self-interaction correction. Calculations of finite temperature magnetism including Monte Carlo simulations and atomistic spin-dynamics simulations. Lattice dynamics and finite temperature effects of phase stability.
Selected Publications
- Sato et al., First-principles theory of dilute magnetic semiconductors Rev. Mod. Phys. 82, 1633 (2010).
- Bergman et al., Magnon softening in a ferromagnetic monolayer: A first-principles spin dynamics study Phys. Rev. B 81, 144416 (2010).
- Sanyal et al., Forcing Ferromagnetic Coupling Between Rare-Earth-Metal and 3d Ferromagnetic Films Phys. Rev. Lett. 104, 156402 (2010).

Publications
Recent publications
Design of thermal hysteresis in nonstoichiometric Fe2P-type alloys with giant magnetocaloric effect
Part of Physical Review B, 2025
- DOI for Design of thermal hysteresis in nonstoichiometric Fe2P-type alloys with giant magnetocaloric effect
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Charge-state dependent spin-orbit coupling and quantum phase transitions in Ir-Ru oxides
Part of Physical Review B, 2025
Machine learning for improved density functional theory thermodynamics
Part of Scientific Reports, 2025
- DOI for Machine learning for improved density functional theory thermodynamics
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Spin-lattice couplings in 3d ferromagnets: Analysis from first principles
Part of Physical Review Materials, 2025
- DOI for Spin-lattice couplings in 3d ferromagnets: Analysis from first principles
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Dynamical electronic correlations and chiral magnetism in the van der Waals magnet Fe4GeTe2
Part of Physical Review B, 2025
- DOI for Dynamical electronic correlations and chiral magnetism in the van der Waals magnet Fe4GeTe2
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All publications
Articles in journal
Design of thermal hysteresis in nonstoichiometric Fe2P-type alloys with giant magnetocaloric effect
Part of Physical Review B, 2025
- DOI for Design of thermal hysteresis in nonstoichiometric Fe2P-type alloys with giant magnetocaloric effect
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Machine learning for improved density functional theory thermodynamics
Part of Scientific Reports, 2025
- DOI for Machine learning for improved density functional theory thermodynamics
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Spin-lattice couplings in 3d ferromagnets: Analysis from first principles
Part of Physical Review Materials, 2025
- DOI for Spin-lattice couplings in 3d ferromagnets: Analysis from first principles
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Dynamical electronic correlations and chiral magnetism in the van der Waals magnet Fe4GeTe2
Part of Physical Review B, 2025
- DOI for Dynamical electronic correlations and chiral magnetism in the van der Waals magnet Fe4GeTe2
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Part of Nature Communications, 2025
- DOI for Tuning ultrafast demagnetization with ultrashort spin polarized currents in multi-sublattice ferrimagnets
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Part of Physical Review B, 2025
- DOI for Topological invariants of vortices, merons, skyrmions, and their combinations in continuous and discrete systems
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Part of Physical Review B, 2025
- DOI for How quantum selection rules influence the magneto-optical effects of driven ultrafast magnetization dynamics
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Design of 2D skyrmionic metamaterials through controlled assembly
Part of npj Computational Materials, 2025
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Lattice and spin entropy changes in B2-type magnetocaloric Al-Mn-Ni alloy
Part of Journal of Physics D, 2025
- DOI for Lattice and spin entropy changes in B2-type magnetocaloric Al-Mn-Ni alloy
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Part of Acta Materialia, 2025
Part of npj Computational Materials, 2024
- DOI for Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8
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Zero-field magnetic skyrmions in exchange-biased ferromagnetic-antiferromagnetic bilayers
Part of Journal of Physics, 2024
- DOI for Zero-field magnetic skyrmions in exchange-biased ferromagnetic-antiferromagnetic bilayers
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Role of pressure-induced stacking faults on the magnetic properties of gadolinium
Part of Physical Review B, 2024
- DOI for Role of pressure-induced stacking faults on the magnetic properties of gadolinium
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Giant magnetocaloric effect in the (Mn,Fe)NiSi-system
Part of Physical Review Materials, 2024
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Quantum Analog of Landau-Lifshitz-Gilbert Dynamics
Part of Physical Review Letters, 2024
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Advanced materials provide solutions towards a sustainable world
Part of Nature Materials, p. 160-161, 2024
Chemical disorder effects on Gilbert damping of FeCo alloys
Part of Physical Review B, 2024
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Part of Physical Review B, 2024
- DOI for Topological magnon in exchange frustration driven incommensurate spin spiral of kagome-lattice YMn6Sn6
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Coupled spin-lattice dynamics from the tight-binding electronic structure
Part of Physical Review B, 2024
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Quantum spin systems: Toroidal classification and geometric duality
Part of Physical Review B, 2024
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The Crystal Structure of Al4SiC4 Revisited
Part of Inorganic Chemistry, p. 10490-10499, 2024
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Understanding the nature of the magnetic coupling in transition metal doped Bi2Se3
Part of Physical Review B, 2024
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Tunable topological magnetism in superlattices of nonmagnetic B20 systems
Part of Physical Review B, 2024
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Theory of x-ray absorption spectroscopy for ferrites
Part of Physical Review B, 2024
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Three-dimensional magnetic nanotextures with high-order vorticity in soft magnetic wireframes
Part of Nature Communications, 2024
- DOI for Three-dimensional magnetic nanotextures with high-order vorticity in soft magnetic wireframes
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Part of Nano Letters, p. 5562-5569, 2024
- DOI for From Insulator to Superconductor: A Series of Pressure-Driven Transitions in Quasi-One-Dimensional TiS3 Nanoribbons
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Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study
Part of Journal of Physics, 2024
- DOI for Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study
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Coupled atomistic spin-lattice simulations of ultrafast demagnetization in 3d ferromagnets
Part of Scientific Reports, 2024
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Two-dimensional heavy fermions in the van der Waals metal CeSiI
Part of Nature, p. 483-488, 2024
The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
Part of Materials Research Letters, p. 655-661, 2023
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A 2D Bismuth-Induced Honeycomb Surface Structure on GaAs(111)
Part of ACS Nano, p. 5047-5058, 2023
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Tuneable 2D surface Bismuth incorporation on InAs nanosheets
Part of Nanoscale, p. 9551-9559, 2023
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Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
Part of Physical Review Research, 2023
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Part of Science Advances, 2023
- DOI for Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub-100-fs time scales
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Robustness of Trion State in Gated Monolayer MoSe2 under Pressure
Part of Nano Letters, p. 10282-10289, 2023
Transmon probe for quantum characteristics of magnons in antiferromagnets
Part of Physical Review B, 2023
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High-Temperature Mechanical and Dynamical Properties of gamma-(U,Zr) Alloys
Part of Materials, 2023
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The effect of longitudinal spin-fluctuations on high temperature properties of Co3Mn2Ge
Part of Scripta Materialia, 2023
- DOI for The effect of longitudinal spin-fluctuations on high temperature properties of Co3Mn2Ge
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Metaheuristic conditional neural network for harvesting skyrmionic metastable states
Part of Physical Review Research, 2023
- DOI for Metaheuristic conditional neural network for harvesting skyrmionic metastable states
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Magnetism in AV3Sb5 (A = Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases
Part of Physical Review Letters, 2023
- DOI for Magnetism in AV3Sb5 (A = Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases
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Part of Materials Research Letters, p. 76-83, 2023
- DOI for Fe2C- and Mn-2(W/Mo)B-4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search
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Genetic-tunneling driven energy optimizer for spin systems
Part of Communications Physics, 2023
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Part of Physical Review B, 2023
- DOI for Unraveling the connection between high-order magnetic interactions and local-to-global spin Hamiltonian in noncollinear magnetic dimers
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Part of ACS Applied Nano Materials, p. 10402-10412, 2023
Tunable phonon-driven magnon-magnon entanglement at room temperature
Part of New Journal of Physics, 2023
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Correlated quantum dynamics of graphene clusters
Part of Physical Review B, 2023
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Influence of nonlocal damping on magnon properties of ferromagnets
Part of Physical Review B, 2023
- DOI for Influence of nonlocal damping on magnon properties of ferromagnets
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Part of Acta Materialia, 2023
- DOI for Stable and metastable rare-earth-free permanent magnets from a database of predicted crystal structures
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Magnetism in AV3Sb5 (A = Cs, Rb, K): Complex landscape of dynamical magnetic textures
Part of Physical Review B, 2023
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Part of Applied Physics Letters, 2023
Stable Sulfuric Vapor Transport and Liquid Sulfur Growth on Transition Metal Dichalcogenides
Part of Crystal Growth & Design, p. 2287-2294, 2023
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Part of Journal of Alloys and Compounds, 2023
- DOI for Investigation of the metastable spinodally decomposed magnetic CrFe-rich phase in Al doped CrFeCoNi alloy
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Atom-specific magnon-driven ultrafast spin dynamics in Fe1-xNix alloys
Part of Physical Review B, 2023
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Site-specific atomic substitution in a giant magnetocaloric Fe2P-type system
Part of Physical Review B, 2023
- DOI for Site-specific atomic substitution in a giant magnetocaloric Fe2P-type system
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Part of Physical Review B, 2023
- DOI for Magnetic circular dichroism in the dd excitation in the van der Waals magnet CrI3 probed by resonant inelastic x-ray scattering
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Part of Journal of Physics and Chemistry of Solids, 2023
- DOI for Pressure effect on the structural, electronic, and magnetic properties of the battery cathode material LiMn2O4: An ab-initio study
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Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory
Part of Acta Materialia, 2023
- DOI for Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory
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Part of Journal of Physics D, 2023
- DOI for On the structural and magnetic properties of Al-rich high entropy alloys: a joint experimental-theoretical study
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Part of ACS Applied Materials and Interfaces, p. 36209-36216, 2022
- DOI for Insights and Implications of Intricate Surface Charge Transfer and sp3-Defects in Graphene/Metal Oxide Interfaces
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Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets
Part of Physical Review B, 2022
- DOI for Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets
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Ultrafast manipulation of the NiO antiferromagnetic order via sub-gap optical excitation
Part of Faraday discussions, p. 300-316, 2022
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Re-Dichalcogenides: Resolving Conflicts of Their Structure-Property Relationship
Part of Advanced Physics Research, 2022
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Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd
Part of Materials Research Letters, p. 156-162, 2022
- DOI for Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd
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Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure
Part of Physical Review B, 2022
Structural and electronic properties of the random alloy ZnSexS1-x
Part of Physical Review B, 2022
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Ultrafast modification of the electronic structure of a correlated insulator
Part of Physical Review Research, 2022
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Comment on "Proper and improper chiral magnetic interactions"
Part of Physical Review B, 2022
Tuning skyrmions in B20 compounds by 4d and 5d doping
Part of Physical Review Materials, 2022
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Part of Physical Review B, 2022
- DOI for Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime
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Heat-conserving three-temperature model for ultrafast demagnetization in nickel
Part of Physical Review B, 2022
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Entanglement duality in spin-spin interactions
Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2022
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Revealing the Magnetic Structure and Properties of Mn(Co,Ge)2
Part of Inorganic Chemistry, p. 17673-17681, 2022
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Exchange scaling of ultrafast angular momentum transfer in 4f antiferromagnets
Part of Nature Materials, p. 514, 2022
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Thermally induced magnetic order from glassiness in elemental neodymium
Part of Nature Physics, p. 905-911, 2022
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Part of Journal of Alloys and Compounds, 2021
- DOI for High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case
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Mechanisms behind large Gilbert damping anisotropies
Part of Physical Review B, 2021
Local structural evolution in the anionic solid solution ZnSexS1-x
Part of Physical Review B, 2021
Exchange constants for local spin Hamiltonians from tight-binding models
Part of Physical Review B, 2021
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Data-driven design of a new class of rare-earth free permanent magnets
Part of Acta Materialia, 2021
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Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17
Part of Journal of Alloys and Compounds, 2021
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Alloying effect on the order-disorder transformation in tetragonal FeNi
Part of Scientific Reports, 2021
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Part of Physical Review B, 2021
- DOI for Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
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Quantifying Spin-Mixed States in Ferromagnets
Part of Physical Review Letters, 2021
Magnetocaloric properties of melt-spun MnFe-rich high-entropy alloy
Part of Applied Physics Letters, 2021
Vibrational entropy-enhanced magnetocaloric effect in Mn-rich high-entropy alloys
Part of Applied Physics Letters, 2021
In Situ Pseudopotentials for Electronic Structure Theory
Part of The Journal of Physical Chemistry C, p. 15103-15111, 2021
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Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys
Part of Physical Review Applied, 2021
Part of Physical Review B, 2021
Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
Part of Physical Review B, 2021
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Photoelectron dispersion in metallic and insulating VO2 thin films
Part of Physical Review Research, 2021
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Majority gate for two-dimensional ferromagnets lacking inversion symmetry
Part of Physical Review Research, 2021
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Magnon-magnon entanglement and its quantification via a microwave cavity
Part of Physical Review B, 2021
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Ultrafast magnetization dynamics in the half-metallic Heusler alloy Co2FeAl
Part of Physical Review B, 2021
Part of Journal of Materials Science & Technology, p. 15-20, 2021
Measuring the Intra-Atomic Exchange Energy in Rare-Earth Adatoms
Part of Physical Review X, 2020
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Part of Physica status solidi. B, Basic research, 2020
- DOI for Soft X-Ray Magnetic Circular Dichroism of Vanadium in the Metal-Insulator Two-Phase Region of Paramagnetic V2O3 Doped with 1.1% Chromium
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Localized surface electromagnetic waves in CrI3-based magnetophotonic structures
Part of Optics Express, p. 29155-29165, 2020
First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
Part of Scientific Reports, 2020
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Pressure effect on the order-disorder transformation in L1(0) FeNi
Part of Scientific Reports, 2020
- DOI for Pressure effect on the order-disorder transformation in L1(0) FeNi
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Part of Journal of Applied Physics, 2020
- DOI for Partial cation ordering, relaxor ferroelectricity, and ferrimagnetism in Pb(Fe1-xYbx)(2/3)W1/3O3 solid solutions
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Part of Applied Physics Reviews, 2020
Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter
Part of Physical Review Research, 2020
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Part of Physical Review Research, 2020
- DOI for Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals
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Hierarchy of magnon mode entanglement in antiferromagnets
Part of Physical Review B Condensed Matter, 2020
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Equation of motion and the constraining field in ab initio spin dynamics
Part of Physical Review B, 2020
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Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study
Part of Journal of Materials Science, p. 12488-12498, 2020
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Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors
Part of Physical Review Materials, 2020
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Part of Physical Review Letters, 2020
- DOI for Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory
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Chemical ordering controlled thermo-elasticity of AlTiVCr1-xNbx high-entropy alloys
Part of Acta Materialia, p. 53-62, 2020
Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects
Part of Physical Review B, 2020
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High-throughput and data-mining approach to predict new rare-earth free permanent magnets
Part of Physical Review B, 2020
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Localized versus itinerant character of 4f-states in cerium oxides
Part of Journal of Physics, 2020
Self-induced spin glass state in elemental and crystalline neodymium
Part of Science, 2020
Oxygen vacancy in ZnO-w phase: pseudohybrid Hubbard density functional study
Part of Journal of Physics, 2020
Part of Science Advances, 2020
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Giant anisotropy of Gilbert damping in a Rashba honeycomb antiferromagnet
Part of Physical Review B, 2020
Part of Physical Review B, 2020
Nonreciprocal spin pumping damping in asymmetric magnetic trilayers
Part of Physical Review B, 2020
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Part of The Journal of Physical Chemistry Letters, p. 911-917, 2019
Density Functional Theory description of the order-disorder transformation in Fe-Ni
Part of Scientific Reports, 2019
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Multi-polaron solutions, nonlocal effects and internal modes in a nonlinear chain
Part of Journal of physics: Condensed matter, 2019
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Part of European Physical Journal B, 2019
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General method for atomistic spin-lattice dynamics with first-principles accuracy
Part of Physical Review B, 2019
Influence of antiphase boundary of the MnAl tau-phase on the energy product
Part of Physical Review Materials, 2019
Intrinsic magnetic properties of SmFe12-xVx alloys with reduced V-concentration
Part of Journal of Alloys and Compounds, p. 969-974, 2019
Tuning the magnetocrystalline anisotropy of Fe3Sn by alloying
Part of Physical Review B, 2019
Database of novel magnetic materials for high-performance permanent magnet development
Part of Computational materials science, p. 188-202, 2019
Spin polaronics: Static and dynamic properties of spin polarons in La-doped CaMnO4
Part of Physical Review B, 2019
Part of Physical Review B, 2019
Photoelectron Spectroscopy of Molecules Beyond the Electric Dipole Approximation
Part of Journal of Chemical Theory and Computation, p. 5483-5494, 2019
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Peculiar magnetic states in the double perovskite Nd2NiMnO6
Part of Physical Review B, 2019
Ligand effects on the linear response Hubbard U: The case of transition metal phthalocyanines
Part of Journal of Physical Chemistry A, p. 3214-3222, 2019
Part of Physical Review B, 2019
Atomic photoionization cross sections beyond the electric dipole approximation
Part of Journal of Chemical Physics, 2019
Self-organizing maps as a method for detecting phase transitions and phase identification
Part of Physical Review B, 2019
Another view on Gilbert damping in two-dimensional ferromagnets
Part of Scientific Reports, 2018
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Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory
Part of Physical Review B, 2018
Part of Physical Review Materials, 2018
Nonlocal Gilbert damping tensor within the torque-torque correlation model
Part of Physical Review Materials, 2018
Part of Journal of Materials Chemistry C, p. 12689-12697, 2018
Part of Physical Review B, 2018
Part of Physical Chemistry, Chemical Physics - PCCP, p. 22168-22178, 2018
A majority gate with chiral magnetic solitons
Part of Journal of Physics, 2018
Magnetic anisotropy in permalloy: hidden quantum mechanical features
Part of Physical Review B, 2018
Superconductivity in two-dimensional phosphorus carbide (β(o)-PC)
Part of Physical Chemistry, Chemical Physics - PCCP, p. 12362-12367, 2018
Searching for materials with reduced dimension
Part of Nature Nanotechnology, p. 180-181, 2018
Suppression of the Verwey Transition by Charge Trapping
Part of Annalen der Physik, 2018
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Mapping the magnetic transition temperatures for medium- and high-entropy alloys
Part of Intermetallics (Barking), p. 80-84, 2018
Part of Physical Review B, 2018
Coupling atomistic and continuum modelling of magnetism
Part of Computer Methods in Applied Mechanics and Engineering, p. 219-253, 2018
The Bethe-Slater curve revisited; new insights from electronic structure theory
Part of Scientific Reports, 2017
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Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface
Part of Scientific Reports, 2017
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Magnetic moment of inertia within the torque-torque correlation model
Part of Scientific Reports, 2017
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Magnetic properties of the Fe5SiB2−Fe5PB2 system
Part of Physical Review B, 2017
Prediction of the new efficient permanent magnet SmCoNiFe3
Part of Physical Review B, 2017
Part of Physical Review Materials, 2017
- DOI for Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds
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Theory of L-edge spectroscopy of strongly correlated systems
Part of Physical Review B, 2017
Exchange interactions of CaMnO3 in the bulk and at the surface
Part of Physical Review B Condensed Matter, 2017
Magnetism and ultrafast magnetization dynamics of Co and CoMn alloys at finite temperature
Part of Physical review B, 2017
Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe
Part of Physical Review B, 2017
Topological edge-state engineering with high-frequency electromagnetic radiation
Part of Physical Review B, 2017
Spin-polaron formation and magnetic state diagram in La-doped CaMnO3
Part of Physical Review B, 2017
Part of Physical Review B, 2017
On the origin of perpendicular magnetic anisotropy in strained Fe-Co(-X) films
Part of Journal of Physics D, 2017
First-principles theory of electronic structure and magnetism of Cr nano-islands on Pd(111)
Part of Journal of Physics, 2017
Evolution of the structural and multiferroic properties of PbFe2/3W1/3O3 ceramics upon Mn-doping
Part of Materials Chemistry and Physics, p. 218-232, 2017
On the phase stability of CaCu5-type compounds
Part of Journal of Alloys and Compounds, p. 549-554, 2017
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Enhanced spin–orbit coupling in tetragonally strained Fe–Co–B films
Part of Journal of Physics, 2017
AlM2B2 (M =Cr, Mn, Fe, Co, Ni): a group of nanolaminated materials
Part of Journal of Physics, 2017
Mapping of Defects in Individual Silicon Nanocrystals Using Real-Space Spectroscopy.
Part of The Journal of Physical Chemistry Letters, p. 1047-1054, 2016
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A spin dynamics approach to solitonics
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Site-selective local fluorination of graphene induced by focused ion beam irradiation
Part of Scientific Reports, 2016
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Magnetism and exchange interaction of small rare-earth clusters: Tb as a representative
Part of Scientific Reports, 2016
Magnetic properties of Fe5SiB2 and its alloys with P, S, and Co
Part of PHYSICAL REVIEW B, 2016
High photon energy spectroscopy of NiO: Experiment and theory
Part of PHYSICAL REVIEW B, 2016
Correlated electronic structure of CeN
Part of Journal of Electron Spectroscopy and Related Phenomena, p. 111-115, 2016
Analytic continuation by averaging Pade approximants
Part of PHYSICAL REVIEW B, 2016
Part of Physical Review B. Condensed Matter and Materials Physics, 2016
Magnetic and electronic structure of Mn nanostructures on Ag(111) and Au(111)
Part of PHYSICAL REVIEW B, 2016
Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe
Part of Physical Review Letters, 2016
Low temperature magneto-structural transitions in Mn3Ni20P6
Part of Journal of Solid State Chemistry, p. 343-348, 2016
Many-body effects and excitonic features in 2D biphenylene carbon
Part of Journal of Chemical Physics, 2016
Reproducibility in density functional theory calculations of solids.
Part of Science, p. 1415-1422, 2016
Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.
Part of Inorganic Chemistry, p. 2791-2805, 2016
A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)
Part of Nanoscale, p. 15753-15762, 2016
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Scale transitions in magnetisation dynamics
Part of Communications in Computational Physics, p. 969-988, 2016
Ultra-low magnetic damping of a metallic ferromagnet
Part of Nature Physics, p. 839-842, 2016
Part of Journal of Chemical Physics, 2016
Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy
Part of Journal of Physics, 2016
Finite-temperature interatomic exchange and magnon softening in Fe overlayers on Ir(001)
Part of PHYSICAL REVIEW B, 2016
Part of PHYSICAL REVIEW B, 2016
Part of Journal of Chemical Theory and Computation, p. 1772-1785, 2016
Standard model of the rare earths analyzed from the Hubbard I approximation
Part of PHYSICAL REVIEW B, 2016
Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6
Part of PHYSICAL REVIEW B, 2016
Correlation effects and orbital magnetism of Co clusters
Part of PHYSICAL REVIEW B, 2016
First-principles investigation of two-dimensional trichalcogenide and sesquichalcogenide monolayers
Part of PHYSICAL REVIEW B, 2016
Part of PHYSICAL REVIEW B, 2016
Two-Dimensional Indium Selenides Compounds: An Ab Initio Study
Part of The Journal of Physical Chemistry Letters, p. 3098-3103, 2015
Part of Scientific Reports, 2015
- DOI for First-principles study of the influence of different interfaces and core types on the properties of CdSe/CdS core-shell nanocrystals
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Part of Scientific Reports, 2015
- DOI for Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
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Part of The Journal of Physical Chemistry C, p. 21227-21233, 2015
Polaron mobility in oxygen-deficient and lithium-doped tungsten trioxide
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
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Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Amorphous W-S-N thin films: The atomic structure behind ultra-low friction
Part of Acta Materialia, p. 84-93, 2015
Amorphous W-S-N thin films: the atomic structure behind ultra-low friction
Part of Acta Materialia, p. 84-93, 2015
Lattice dynamics and chemical bonding in Sb2Te3 from first-principles calculations
Part of Journal of Chemical Physics, 2015
Valence and spectral properties of rare-earth clusters
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
- DOI for Layer-resolved magnetic exchange interactions of surfaces of late 3d elements: Effects of electronic correlations
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Dynamics of quasiparticles in graphene under intense circularly polarized light
Part of Physical Review B Condensed Matter, 2015
Part of JOM, p. 1318-1328, 2015
Part of Journal of Chemical Physics, 2015
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Part of Physical Review B. Condensed Matter and Materials Physics, p. 165429-165435, 2015
Part of Journal of Chemical Physics, 2015
Part of Journal of Chemical Physics, 2015
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Quasi-2D Cu2S Crystals on Graphene: In-situ Growth and ab-initio Calculations
Part of Small, p. 1253-1257, 2015
Universal distribution of magnetic anisotropy of impurities in ordered and disordered nanograins
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Magnetic properties of (Fe1-xCox)(2)B alloys and the effect of doping by 5d elements
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
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Electronic topological transition and noncollinear magnetism in compressed hcp Co
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
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Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Gilbert-like damping caused by time retardation in atomistic magnetization dynamics
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
Part of Journal of Applied Physics, 2015
Part of Journal of Materials Research, p. 207-214, 2014
A charge self-consistent LDA plus DMFT study of the spectral properties of hexagonal NiS
Part of New Journal of Physics, 2014
Topological excitations in a kagome magnet
Part of Nature Communications, p. 4815, 2014
The dipole moment of the spin density as a local indicator for phase transitions
Part of Scientific Reports, p. 5760, 2014
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Effect of spin orbit coupling and Hubbard U on the electronic structure of IrO2
Part of Physical Review B. Condensed Matter and Materials Physics, p. 155102, 2014
Thermally driven domain-wall motion in Fe on W(110)
Part of Physical Review B. Condensed Matter and Materials Physics, 2014
Hole bipolaron formation at (100) MgO/CaO epitaxial interface
Part of Physical Review B. Condensed Matter and Materials Physics, p. 125118, 2014
Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine
Part of Journal of Physical Chemistry A, p. 927-932, 2014
Field-regulated switching of the magnetization of Co-porphyrin on graphene
Part of Physical Review B. Condensed Matter and Materials Physics, p. 144411, 2014
Electronic structure of In3Se4 and In3Te4 monolayers from ab-initio calculations
Part of Annalen der Physik, p. 402-407, 2014
Anisotropy of magnetic properties of Fe1+y Te
Part of Journal of Physics, p. 436003, 2014
Electronic structure, cohesive properties, and magnetism of SrRuO3
Part of Physical Review B. Condensed Matter and Materials Physics, p. 165130, 2014
Fe phthalocyanine on Co(001): Influence of surface oxidation on structural and electronic properties
Part of Physical Review B. Condensed Matter and Materials Physics, 2014
Part of Physical Review B. Condensed Matter and Materials Physics, 2014
Fermi Condensation Near van Hove Singularities Within the Hubbard Model on the Triangular Lattice
Part of Physical Review Letters, 2014
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205311, 2014
Part of Physical Review B. Condensed Matter and Materials Physics, p. 224105, 2014
Tuning order-by-disorder multiferroicity in CuO by doping
Part of Physical Review B. Condensed Matter and Materials Physics, 2014
Treatment of 4 f states of the rare earths: The case study of TbN
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205109, 2014
Revisiting the adsorption of copper-phthalocyanine on Au(111) including van der Waals corrections
Part of Journal of Chemical Physics, p. 124711, 2014
Part of Physical Review B. Condensed Matter and Materials Physics, p. 144403, 2014
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205411, 2014
Magnetic properties of FexCo1-x nanochains on Pt(111) surfaces
Part of Journal of Physics, p. 206003, 2014
Kinetic arrest induced antiferromagnetic order in hexagonal FeMnP0.75Si0.25 alloy
Part of Applied Physics Letters, p. 262405, 2014
Origin of the magnetostructural coupling in FeMnP0.75Si0.25
Part of Physical Review B. Condensed Matter and Materials Physics, p. 214436, 2014
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Lattice dynamics of cubic AuZn from first principles
Part of Physical Review B. Condensed Matter and Materials Physics, p. 104101, 2014
Tribochemically Active Ti–C–S Nanocomposite Coatings
Part of Materials Research Letters, p. 148-155, 2013
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Two-Dimensional Materials from Data Filtering and Ab Initio Calculations
Part of Physical Review X, 2013
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Part of Nature Communications, p. 2645, 2013
Complex magnetic structure of clusters and chains of Ni and Fe on Pt(111)
Part of Scientific Reports, p. 3054, 2013
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Defect controlled magnetism in FeP/graphene/Ni(111)
Part of Scientific Reports, p. 3405, 2013
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Part of The Journal of Physical Chemistry C, p. 7018-7025, 2013
Interatomic Exchange Interactions for Finite-Temperature Magnetism and Nonequilibrium Spin Dynamics
Part of Physical Review Letters, p. 127204, 2013
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
Part of Physical Review B. Condensed Matter and Materials Physics, p. 104107, 2013
Electronic structure and magnetic properties of Mn, Co, and Ni substitution of Fe in Fe4N
Part of Physical Review B. Condensed Matter and Materials Physics, 2013
Hydrogen storage properties of the pseudo binary Laves phase (Sc1-xZrx)(Co1-yNiy)2 system
Part of International journal of hydrogen energy, p. 9772-9778, 2013
Experimental and theoretical study of electronic structure of lutetium bi-phthalocyanine
Part of Journal of Chemical Physics, p. 234701, 2013
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Transition between direct and indirect band gap in silicon nanocrystals
Part of Physical Review B. Condensed Matter and Materials Physics, p. 245401, 2013
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Manipulation of spin state of iron porphyrin by chemisorption on magnetic substrates
Part of Physical Review B. Condensed Matter and Materials Physics, 2013
X-ray absorption spectra: Graphene, h-BN, and their alloy
Part of Physical Review B. Condensed Matter and Materials Physics, p. 155108, 2013
Correlated electronic structure of Fe in bulk Cs and on a Cs surface
Part of Physical Review B. Condensed Matter and Materials Physics, p. 115142, 2013
Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3
Part of Physical Review B. Condensed Matter and Materials Physics, 2013
Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties
Part of Physical Review B. Condensed Matter and Materials Physics, p. 174425, 2013
Designing Fe Nanostructures at Graphene/h-BN Interfaces
Part of The Journal of Physical Chemistry C, p. 21763-21771, 2013
Part of Computational materials science, p. 282-286, 2013
Identifying the Electronic Character and Role of the Mn States in the Valence Band of (Ga,Mn)As
Part of Physical Review Letters, 2013
Atomistic spin dynamics of low-dimensional magnets
Part of Physical Review B Condensed Matter, 2013
Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to ferromagnetic Co films
Part of Physical Review B. Condensed Matter and Materials Physics, p. 224424, 2013
Part of Physical Review X, 2012
Electronic entanglement in late transition metal oxides
Part of Physical Review Letters, p. 186401, 2012
Magnetic ordering in Ni-rich NiMn alloys around the multicritical point: Experiment and theory
Part of Physical Review B. Condensed Matter and Materials Physics, p. 174405, 2012
Formation and Structure of Graphene Waves on Fe(110)
Part of Physical Review Letters, 2012
Ultrafast Spin Dynamics in Multisublattice Magnets
Part of Physical Review Letters, 2012
Improved gas sensing activity in structurally defected bilayer graphene
Part of Nanotechnology, p. 50550, 2012
Microscopic Model for Ultrafast Remagnetization Dynamics
Part of Physical Review Letters, p. 157201, 2012
Structural properties of amorphous metal carbides: Theory and experiment
Part of Acta Materialia, p. 4720-4728, 2012
Part of Journal of Physics, p. 295901, 2012
Magnetic exchange interactions in B-, Si-, and As-doped Fe2P from first-principles theory
Part of Physical Review B. Condensed Matter and Materials Physics, p. 224435, 2012
Part of Journal of Materials Chemistry, p. 14741-14745, 2012
Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study
Part of Solid State Communications, p. 1719-1724, 2012
High-temperature phonon stabilization of γ-uranium from relativistic first-principles theory
Part of Physical Review B. Condensed Matter and Materials Physics, 2012
Part of Computational materials science, p. 295-302, 2012
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205109, 2012
Part of Philosophical Magazine, p. 888-898, 2012
Part of Physica. B, Condensed matter, p. 4615-4621, 2012
Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)
Part of Physical Review B. Condensed Matter and Materials Physics, 2012
Correlated electronic structure and chemical bonding of cerium pnictides and γ-Ce
Part of Physical Review B. Condensed Matter and Materials Physics, p. 115116, 2012
Ferrimagnetism, antiferromagnetism, and magnetic frustration in La2-xSrxCuRuO6 (0 <= x <= 1)
Part of Physical Review B. Condensed Matter and Materials Physics, 2012
Large magnetic anisotropy of Fe2P investigated via ab initio density functional theory calculations
Part of Physical Review B. Condensed Matter and Materials Physics, 2012
Accelerating the switching of magnetic nanoclusters by anisotropy-driven magnetization dynamics
Part of Physical Review B. Condensed Matter and Materials Physics, p. 224401, 2012
Part of Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems, 2012
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Carbon Release by Selective Alloying of Transition Metal Carbides
Part of Journal of Physics, p. 355401-+, 2011
Fe3.3Ni83.2Mo13.5: a likely candidate to show spin-glass behaviour at low temperatures
Part of Journal of Physics, p. 106002, 2011
Suppression of Standing Spin Waves in Low-Dimensional Ferromagnets
Part of Physical Review Letters, 2011
Part of Physical Review B. Condensed Matter and Materials Physics, p. 125424, 2011
Order–disorder induced magnetic structures of FeMnP0.75Si0.25
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Ultrafast switching in a synthetic antiferromagnetic magnetic random-access memory device
Part of Physical Review B. Condensed Matter and Materials Physics, p. 224429, 2011
Local electronic structure information contained in energy-filtered diffraction patterns
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Part of Physical Review B. Condensed Matter and Materials Physics, p. 132402, 2011
Experimental and theoretical studies on stainless steel transfer onto a TiN-coated cutting tool
Part of Acta Materialia, p. 68-74, 2011
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
Part of Journal of Physics, 2011
Magnetocrystalline anisotropy and uniaxiality of MnAs/GaAs(100) films
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Small gold clusters on graphene, their mobility and clustering: a DFT study
Part of Physical Review B Condensed Matter, p. 205301, 2011
Design of carbide-based nanocomposite thin films by selective alloying
Part of Surface & Coatings Technology, p. 583-590, 2011
Textured growth of the high moment material Gd(0001)/Cr(001)/Fe(001)
Part of Journal of Physics D, p. 265004, 2011
Ab initio Phonons in Magnetic Ni2MnAl
Part of Japanese Journal of Applied Physics, 2011
Part of Journal of Chemical Physics, 2011
- DOI for Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study
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From collinear to vortex magnetic structures in Mn corrals on Pt(111)
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Thermo-physical properties of body-centered cubic iron-magnesium alloys under extreme conditions
Part of Solid State Communications, p. 203-207, 2011
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Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn
Part of Physical Review B. Condensed Matter and Materials Physics, p. 125124, 2011
Disorder-induced metallicity in amorphous graphene
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205414, 2011
Strongly enhanced magnetic moments in ferromagnetic FeMnP0.5Si0.5
Part of Applied Physics Letters, p. 152502, 2011
Part of Physical Review B. Condensed Matter and Materials Physics, 2011
Lattice dynamics and elastic properties of the 4 f electron system: CeN
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205135, 2011
Graphene as a Reversible Spin Manipulator of Molecular Magnets
Part of Physical Review Letters, p. 257202, 2011
Part of Europhysics letters, p. 66006, 2011
Conductivity engineering of graphene by defect formation
Part of Journal of Physics D, 2010
Design of the Lattice Parameter of Embedded Nanoparticles
Part of Chemical Physics Letters, p. 95-99, 2010
Wear-resistant magnetic thin film material based on a Ti1−xFexC1−y nanocomposite alloy
Part of Physical Review B Condensed Matter, 2010
Magnon softening in a ferromagnetic monolayer: A first-principles spin dynamics study
Part of Physical Review B. Condensed Matter and Materials Physics, p. 144416, 2010
Defect-controlled electronic transport in single, bilayer, and N-doped graphene: Theory
Part of Physical Review B. Condensed Matter and Materials Physics, p. 245405, 2010
Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)
Part of Physical Review B. Condensed Matter and Materials Physics, 2010
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Reciprocal and real space maps for EMCD experiments
Part of Ultramicroscopy, p. 1380-1389, 2010
Quantitative magnetic measurements with transmission electron microscope
Part of Journal of Magnetism and Magnetic Materials, p. 1478-1480, 2010
Theoretical studies of the incommensurate magnetic structure of a heavy fermion system: CeRhIn5
Part of Physical Review B. Condensed Matter and Materials Physics, 2010
Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading
Part of Physical Review B. Condensed Matter and Materials Physics, p. 165405, 2010
Simulation of hydrogenated graphene field-effect transistors through a multiscale approach
Part of Physical Review B. Condensed Matter and Materials Physics, p. 153404, 2010
Density functional study of the electronic structure and lattice dynamics of SrCl2
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Forcing Ferromagnetic Coupling Between Rare-Earth-Metal and 3d Ferromagnetic Films
Part of Physical Review Letters, p. 156402, 2010
Dynamical stability of body center cubic iron at the Earth's core conditions
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 9962-9964, 2010
First-principles theory of dilute magnetic semiconductors
Part of Reviews of Modern Physics, p. 1633-1690, 2010
Ab initio study of structural and magnetic properties of Si-doped Fe2P
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Part of Physical Review Letters, p. 117601, 2010
Electronic structure of Co-phthalocyanine calculated by GGA plus U and hybrid functional methods
Part of Chemical Physics, p. 96-99, 2010
Highly anisotropic sliding at TiN/Fe interfaces: A first principles study
Part of Journal of Applied Physics, p. 113511, 2010
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Theory of spin-polarized scanning tunneling microscopy applied to local spins
Part of Physical Review B. Condensed Matter and Materials Physics, p. 115454, 2010
A new material for hydrogen storage; ScAl0.8Mg0.2
Part of Journal of Solid State Chemistry, p. 3113-3117, 2009
Atomistic spin dynamics of the Cu-Mn spin-glass alloy
Part of Physical Review B Condensed Matter, 2009
Simulation of a spin-wave instability from atomistic spin dynamics
Part of Physical Review B Condensed Matter, p. 184426, 2009
Competing anisotropies in bcc Fe81Ni19/Co(001) superlattices
Part of Applied Physics Letters, 2009
Quantitative magnetic information from reciprocal space maps in transmission electron microscopy
Part of Physical Review Letters, 2009
Exchange coupling and exchange bias in FM/AFM bilayers for a fully compensated AFM interface
Part of Acta Physica Polonica. A, p. 25-29, 2009
Part of Computational materials science, p. 1042-1049, 2009
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First-principles modeling of He-clusters in UO2
Part of Journal of Nuclear Materials, p. 72-74, 2009
Multiplet effects in the electronic structure of intermediate-valence compounds
Part of Physical Review B. Condensed Matter and Materials Physics, p. 165104, 2009
Theory of He trapping, diffusion, and clustering in UO2
Part of Journal of Nuclear Materials, p. 510-516, 2009
Microscopic picture of Co clustering in ZnO
Part of Physical Review B. Condensed Matter and Materials Physics, p. 125202, 2009
Part of Journal of Physics, p. 175402, 2009
Molecular adsorption in defected graphene with divacancy defects
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gamma-Mn at the border between weak and strong correlations
Part of European Physical Journal B, p. 473-478, 2009
Evolving properties of two-dimensional materials: from graphene to graphite
Part of Journal of Physics, p. 335502, 2009
Accurate electronic band gap of pure and functionalized graphane from GW calculations
Part of Physical Review B. Condensed Matter and Materials Physics, p. 245117, 2009
Magnetism-driven anomalous surface alloying between Cu and Cr
Part of Applied Physics Letters, p. 172507, 2009
The self-consistent ab initio lattice dynamical method
Part of Computational materials science, p. 888-894, 2009
First-principles theory for helium and xenon diffusion in uranium dioxide
Part of Journal of Nuclear Materials, p. 364-367, 2009
Strength of Correlation Effects in the Electronic Structure of Iron
Part of Physical Review Letters, p. 267203, 2009
Tailoring the Nature of Magnetic Coupling of Fe-Porphyrin Molecules to Ferromagnetic Substrates
Part of Physical Review Letters, 2009
Part of Physical Review B. Condensed Matter and Materials Physics, 2008
Cobalt-doped beta-peptide nanotubes: A class of spintronic materials
Part of Physical Review B. Condensed Matter and Materials Physics, p. 155407, 2008
Part of Journal of Physics D, 2008
Part of Physical Review B. Condensed Matter and Materials Physics, 2008
Increasing the equilibrium solubility of dopants in semiconductor multilayers and alloys
Part of Physical Review Letters, p. 105501, 2008
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Magnetism of Co overlayers and nanostructures on W(001): A first principles study
Part of Journal of Magnetism and Magnetic Materials, p. 1173-1179, 2008
Spin and orbital moments of Fe clusters supported on Ni(001)
Part of Journal of Physics, 2008
A method for atomistic spin dynamics simulations: implementation and examples
Part of Journal of Physics, p. 315203, 2008
Role of magnetic impurities in Fe/V multilayers
Part of Physical Review B. Condensed Matter and Materials Physics, p. 144408, 2008
Part of Physical Review Letters, 2008
Inhomogeneity in Co Doped ZnO Diluted Magnetic Semiconductor
Part of Journal of Applied Physics, 2008
Electronic structure and bulk properties of MB6 and MB12 borides
Part of Low temperature physics (Woodbury, N.Y., Print), p. 921-929, 2008
Dynamics of diluted magnetic semiconductors from atomistic spin-dynamics simulations: Mn-doped GaAs
Part of Physical Review B. Condensed Matter and Materials Physics, p. 144419, 2008
Noncollinear magnetism in the high-pressure hcp phase of iron
Part of Physical Review B. Condensed Matter and Materials Physics, 2008
Part of Physical Review B. Condensed Matter and Materials Physics, 2008
Part of Physical Review B. Condensed Matter and Materials Physics, p. 245101, 2008
Magnetic-instability-induced giant magnetoelectric coupling
Part of Advanced Materials, p. 1353-+, 2008
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Part of Physica. B, Condensed matter, p. 4111-4119, 2008
Volume dependent magnetism in zinc-blende MnX (X=N,P,As,Sb,Bi) compounds
Part of Journal of Applied Physics, 2008
Spin and orbital moment sum-rules for the electron energy loss chiral magnetic dichroism
Part of Physica. B, Condensed matter, p. 1614-1615, 2008
Ab initio calculations of the phonon spectra and the thermal expansion coefficients of the 4d metals
Part of Physical Review B. Condensed Matter and Materials Physics, 2008
Electronic structure of Co doped ZnO: Theory and experiment
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Design of Nanocomposite Low-Friction Coatings
Part of Advanced Functional Materials, p. 1611-1616, 2007
Part of Physical Review Letters, p. 177207, 2007
Bonding mechanism in the nitrides Ti2AlN and TiN: An experimental and theoretical investigation
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Part of Journal of Physics, p. 156226, 2007
Dimensionality crossover in the induced magnetization of Pd layers
Part of Journal of Physics, p. 246213, 2007
Anomalous Thermal Expansion in α-Titanium
Part of Physical Review Letters, 2007
Quasiparticle and optical properties of BeH2
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Influence of defects on the magnetism of Mn-doped ZnO
Part of Journal of Applied Physics, 2007
Role of defects on the magnetic interactions in Mn-doped ZnO
Part of Physica status solidi. A, Applied research, p. 53-60, 2007
Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
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Fermiology of PuCoGa5 and of related Pu-115 compounds
Part of Journal of Alloys and Compounds, p. 109-113, 2007
Ab-initio modeling of spintronic materials
Part of Physica status solidi. A, Applied research, p. 33-43, 2007
Prediction of MAX phases, VN+1SiCN (N=1,2), from first-principles theory
Part of Journal of Applied Physics, 2007
Effect of diffusion and alloying on the magnetic and transport properties of Fe/V/Fe trilayers
Part of Physical Review B. Condensed Matter and Materials Physics, 2007
Noncollinear spin states in TlCo2Se2-xSx alloys from first principles
Part of Physical Review B. Condensed Matter and Materials Physics, 2007
Substrate-induced magnetic ordering and switching of iron porphyrin molecules
Part of Nature Materials, p. 516-520, 2007
Sum rules for electron energy loss near edge spectra
Part of Physical Review B. Condensed Matter and Materials Physics, 2007
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Ordering in diluted magnetic semiconductors: A magnetic percolation phenomenon (invited)
Part of Journal of Applied Physics, 2007
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Electronic structure, bulk and magnetic properties of MB6 and MB12 borides
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Dual nature of the 5f electrons in plutonium materials
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Calculation of the equation of state of fcc Au from first principles
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Electronic structure and chemical bonding in Ti2AlC investigated by soft x-ray emission spectroscopy
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Competing Exchange Interactions in Magnetic Multilayers
Part of Physical Review Letters, 2006
Non-collinear magnetisation of V clusters supported on a Cu (111) surface: Theory
Part of Surface Science, p. 4838-4842, 2006
Magnetic moments of Fe clusters embedded in an Fe-Co alloy
Part of Physical Review B. Condensed Matter and Materials Physics, p. 104422, 2006
Magnetic properties of Fe/Co(001) superlattices from first-principles theory
Part of Physical Review B. Condensed Matter and Materials Physics, p. 174409, 2006
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Theory of weakly coupled two-dimensional magnets
Part of Journal of Physics, p. 4853, 2006
Experimental and theoretical study of annealed Ni-Pt alloys
Part of Physical Review B. Condensed Matter and Materials Physics, 2006
Volume-dependent exchange interactions and noncollinear magnetism in zinc-blende MnAs
Part of Physical Review B. Condensed Matter and Materials Physics, p. 184401, 2006
General trend of the mechanical properties of the ternary carbides M3SiC2 (M=transition metal)
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Perpendicular magnetocrystalline anisotropy in tetragonally distorted Fe-Co alloys
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Part of Physical Review B. Condensed Matter and Materials Physics, 2006
Theoretical study of the magnetism of Mn-doped ZnO with and without defects
Part of Physical Review B. Condensed Matter and Materials Physics, p. 235208, 2006
Electronic structure and magnetic properties of RNi5-xCux alloys (R=Y, La, Ce)
Part of Low temperature physics (Woodbury, N.Y., Print), p. 1140-1146, 2006
Ferromagnetism in Mn doped half-Heusler NiTiSn: Theory and experiment
Part of Applied Physics Letters, p. 212502, 2006
Multiplet effects in the electronic structure of light rare-earth metals
Part of Physical Review B. Condensed Matter and Materials Physics, 2006
Ab initio electronic structure calculations of Pu-115 compounds
Part of J. Phys. Soc. Jpn., 2006
Magnetic interactions of Mn clusters supported on Cu
Part of PHYSICAL REVIEW B, p. 174434, 2006
Part of Phys. Rev. B, 2006
Multiplet effects in the electronic structure of heavy rare-earth metals
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Ab initio study of the electronic properties and Fermi surface of the uranium dipnictides
Part of PHYSICAL REVIEW B, 2006
Electronic spectra and magnetic properties of RB6, RB12 and RB2C2 borides
Part of Physica Status Solidi C, p. 229-232, 2006
Comment on 'Nature of non-magnetic strongly-correlated state in delta-Pu' by L.Pourovskii et al.''
Part of Europhysics letters, p. 170, 2006
Pressure effect on the Fermi surface and electronic structure of LuGa3 and TmGa3
Part of Low Temperature Physics, p. 313, 2005
Electronic and optical properties of MgH2: a first-principle GW investigation
Part of Journal of Applied Physics, 2005
Magnetic properties and disorder effects in diluted magnetic semiconductors
Part of Physical Review B. Condensed Matter and Materials Physics, p. 195210, 2005
Cycloidal magnetic order in the compound IrMnSi
Part of Physical Review B. Condensed Matter and Materials Physics, p. 174420, 2005
Thermodynamics of a two-dimensional Heisenberg ferromagnet with dipolar interaction
Part of Physical Review B Condensed Matter, 2005
Magnetic anisotropy of L10 FePt and Fe1-xMnxPt
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Theory of the temperature dependence of the easy axis of magnetization in hcp Gd
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Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles
Part of Physical Review B, p. 235419, 2005
Vanishing Magnetic Interactions in Ferromagnetic Thin Films
Part of PHYSICAL REVIEW LETTERS, p. 217202, 2005
Vanishing Magnetic Interaction in Ferromagnetic Thin Films
Part of Physical Review Letters, p. 4, 2005
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Ab-initio calculation of the magneto crystalline anisotropy of a bcc Co surface
Part of Physical Review B, p. 14459, 2005
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Electronic structure and spectroscopic properties of thulium monochalcogenides
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Many-body projector orbitals for electronic structure theory of strongly correlated electrons
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Polar magneto-optical Kerr effect for low-symmetric ferromagnets
Part of PHYSICAL REVIEW B, 2005
Part of Theory of strongly correlated electron systems. II. Including correlation effects into electronic structure calculations, p. 1046, 2005
Ab Initio Theory of Dynamical Core-Hole Screening in Graphite from X-Ray Absorption Spectra
Part of Phys. Rev. Lett., p. 167401-167405, 2005
Surface segregation of transition metal impurities on the TiC(100) Surface
Part of Surface Science, p. 101-107, 2005
Structural and magnetic aspects of multilayer interfaces
Part of Journal of Magnetism and Magnetic Materials, 2004
On the sharpness of the interfaces in metallic multilayers
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 4742-4745, 2004
Conditions for noncollinear instabilities of ferromagnetic materials
Part of Physical Review Letters, p. 107205, 2004
Crystal and magnetic structure of Mn3IrSi
Part of Physical Review B. Condensed Matter and Materials Physics, 2004
Electronic structure and magnetism of diluted magnetic semiconductors and derivatives
Part of Journal of Magnetism and Magnetic Materials, 2004
Electronic structure and magnetism of diluted magnetic semiconductors
Part of Journal of Physics, p. 5481, 2004
Magnetic percolation in diluted magnetic semiconductors
Part of Physical Review Letters, p. 137202, 2004
Structural and magnetic characterization of Mn3IrGe and Mn3Ir(Si1-xGex): experiments and theory
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Exchange interactions and critical temperatures in diluted magnetic semiconductors
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Layered compound Nb3SiC2 predicted from first-principles theory
Part of Applied Physics Letters, p. 3071-3073, 2004
First-principles prediction of superplastic transition-metal alloys
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Elastic properties of Mg(1-x)AlxB2 from first principles theory
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Phase relations in the Ti3Sn–D system
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Giant Magnetic Anisotropy in Tetragonal FeCo Alloys
Part of Physical Review Letters, 2004
Magnetism of Fe clusters embedded in a Co matrix from first-principles theory
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Theoretical and experimental study of the magnetic structure of TlCo2Se2
Part of Physical Review B. Condensed Matter and Materials Physics, 2004
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Defect structure of Ga1−xMnxAs: A cross-sectional tunneling microscopy study
Part of Physical Review B, 2004
Final state effects in the X-ray absorption spectra of La0.7Sr0.3MnO3
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Surface energies and work functions of the transition metal carbides
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Asymetric negative differential conductance in double quantum-dots
Part of J phys cond matt, 2004
Transport through quasi-degenerate states in coupled quantum dots
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A perfect spin-filter quantum dot system
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First principles electronic structure calcualtions for intermediate valence f systems'
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Electronic structure and magnetism of diluted magnetic semi conductors
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GaMnAs studied by cross-sectional Scanning Tunneling Microscopy
Part of phys rev b, p. 85411, 2004
On the Magnetic and Crystalline Structure of Mn3IrSi
Part of phys rev b, p. 54422, 2004
On the conditions for non-colinear magnetism
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Part of Physical Review, 2004
Crystal structure and magnetic properties of the new phase Mn3IrSi
Part of Journal of Magnetism and Magnetic Materials, p. 823-825, 2004
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Intrinsic defects and transition metal impurities in GaAs
Part of J magn magn matt, 2004
A possible new MAX phase: Nb3SiC2
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Exchange interaction and magnetic percolation in diluted magnetic semiconductors
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Pressure effect on the fermi surface and electronic structure of LuGa3 and TmGa3
Part of Check J of Phys, 2004
Origin of the negative GMR effects in Cr_xCo_1-x/cu/Co (111) trilayers
Part of Physical Review B, 2004
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Ferromagnetic materials in the zinc-blende structure
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Magnetic and electronic structure of (Ga1-xMnx)As
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205201, 2003
Magnetism of Fe/V and Fe/Co multilayers
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Origin of Magnetic Anisotropy of Gd Metal
Part of Physical Review Letters, p. 157201-157204, 2003
Balanced crystal orbital overlap population: a tool for analysing chemical bonds in solids
Part of Journal of Physics, p. 7751-7761, 2003
Initial and final state effects in the x-ray absorption process of La1-xSrxMnO3
Part of Physical Review B. Condensed Matter and Materials Physics, p. 235109, 2003
Evidence for initial and final state effects in the x-ray absorption spectrum of La(1-x)Sr(x)MnO3
Part of Physical Review B: Condensed Matter and Materials Physics, p. 235109, 2003
On the magnetic anisotropy of Gd metal
Part of Physical Review Letters, p. 157201, 2003
Doping-induced band gap narrowing in Si rich n- and p-type Si$_{1-x}$Ge$_x$
Part of Journal of Physics: Condensed Matter, p. 489, 2003
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Tailor-made electronic and magnetic properties in one-dimensional perovskite-like oxides
Part of Physical Review Letters, p. 186404, 2003
Photoemission and the electronic structure of PuGaCo$_5$
Part of Physical Review Letters, p. 176401, 2003
Electronic structure and magnetic properties of Lithium manganese spinels
Part of J.Magn. Magn. Matt., p. 285, 2003
Electronic structure and magnetic properties of GdM$_2$ compounds
Part of Journal of Magnetism and Magnetic Materials, p. 520, 2003
Ab-initio calculation of depth resolved optical anisotropy of the Cu (110) surface
Part of Physical Review B, p. 35426, 2003
Modeling the actinides with disordered local moments
Part of Physical Review B, p. 235105, 2003
Fe/V and Fe/Co(001) superlattices: growth, anisotropy, magnetisation and magnetoresistance
Part of PHYSICA B-CONDENSED MATTER, p. 344, 2003
Magnetic susceptibility of hcp iron and the seismic anisotropy of Earth's inner core
Part of PHYSICAL REVIEW B, 2003
Ground state and excited state properties of LaMnO$_3$ from full potential calculations
Part of Phys. Rev. B, p. 64445, 2002
First-principles calculations of the magnetic anisotropy energy of Fe-V multilayers
Part of Phys. Rev. B, 2002
Geometry of the Valence Transition Induced Surface Reconstruction of Sm(0001)
Part of Physical Review Letters, p. 136102, 2002
H-H interaction and structural phase transition in Ti3SnHx
Part of Physical Review B. Condensed Matter and Materials Physics, p. 235104, 2002
Non-collinear magnetization density in VAu4
Part of International Journal of Quantum Chemistry, p. 1610-1613, 2002
Uniaxial magnetocrystalline anisotropy of metal/semiconductor interfaces: Fe/ZnSe(001)
Part of Physical Review Letters, p. 267203, 2002
Many-body approach to spin-dependent transport in quantum dot systems
Part of Physical Review Letters, p. 226601, 2002
H-point vibration: precise solution of Mo, Fe and Na
Part of J.Phys. Cond. Matt., 2002
Crystal Field Levels and Magnetic Susceptibility in PuO2
Part of Physical Review B, p. 195102-195108, 2002
Crystal field levels and magnetic susceptibility of PuO$_2$: theory
Part of Phys. Rev. B, p. 195102, 2002
Noncollinear magnetization density on VAu4
Part of Inter J Quant Chem, 2002
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In-plane magnetic anisotropy of Fe/V (0 0 1) superlattices
Part of J. Magn. Magn. Mater., p. 260-270, 2002
Probing surface states of Cu/Ni thin films using x-ray absorption spectroscopy
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Effects of nonorthogonality in the time-dependent current through tunnel junctions
Part of Physical Review B Condensed Matter, p. 153403, 2001
Crystal field levels in lanthanide systems
Part of Journal of Magnetism and Magnetic Materials, p. 1027-1028, 2001
Part of Physical Review B Condensed Matter, 2001
The effect of hydrogenation on the crystal structure and magnetic state in Pd3Mn
Part of Journal of Magnetism and Magnetic Materials, p. 1040-1041, 2001
Sign reversal of the orbital moment via ligand states - art. no. 172405
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Electronic structure of the strongly hybridized ferromagnet CeFe2
Part of PHYSICAL REVIEW B, p. 14304-14312, 2000
Calculated trends of the magnetostriction coefficient of 3d alloys from first principles
Part of APPLIED PHYSICS LETTERS, p. 915-917, 2000
Non-collinear states in magnetic sensors
Part of NATURE, p. 280-282 Language: English, 2000
Chemical vapour deposition of molybdenum carbides: aspects of phase stability
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Observation of short- and long-range hybridization of a buried Cu monolayer in Ni
Part of PHYSICAL REVIEW B, 2000
On the non-orthogonality problem in the description of quantum devices
Part of Physica. B, Condensed matter, p. 28-30, 1999
Effect of hydrogenation on the magnetic state in cubic Pd3Mn
Part of Physical Review B Condensed Matter, p. 6765-6769, 1999
Theoretical studies of substitutional impurities in molybdenum carbide
Part of Physical Review B Condensed Matter, p. 15123-15130, 1999
Crystal Field Excitations as Quasi-Particles
Part of Psi-k Scientific Highlights, 1999
Probing the local electronic structure in the H induced metal-insulator transition of Y
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Theoretical study of structural and electronic properties of VHx
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Experimental and theoretical identification of a new high-pressure phase of silica
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Cluster approach to transport through complex nanostructures
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A new alloy for information storage
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Magnetic interactions of Mn clusters supported on Cu
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Ab-initio calculations of the phonon spectrum and the thermal expansion for the 4d metals
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Theory of the Temperature Dependence of the Easy Axis of Magnetization in Gd Metal
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Charge transfer effets in x-ray absorption spectroscopy of transition metal oxides
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On the unaixial magnetocrystalline anisotropy of metal/semiconductor interfaces; Fe/ZnSe(001)
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Charge-state dependent spin-orbit coupling and quantum phase transitions in Ir-Ru oxides
Part of Physical Review B, 2025
Quantitative theory of magnetic interactions in solids
Part of Reviews of Modern Physics, 2023
Atomistic spin dynamics and surface magnons
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Chapters in book
Theory of diluted magnetic semiconductors
Part of Advanced Functional Materials, p. 1-19, Elsevier, 2012
Magnetic anisotropy from first principles
Part of Physics of Spin in Solids, p. 263-287, Kluwer Academic Publishers, the Netherlands, 2004
Electronic structure calculations of phase stability: cohesive and elastic properties
Part of Encyclopedia of materials, Elsevier, Oxford, 2004
Lågdimensionell magnetism; en samlingsplats för experiment, teori och industri
Part of Kosmos 2001, p. 77, 2001
Conference papers
Different fingerprints for the OISTR mechanism in the magnetic alloys experiments
Part of ADVANCES IN ULTRAFAST CONDENSED PHASE PHYSICS III, 2022
Evanescent exchange magnons in a 1D magnonic crystal
Part of Ultrafast Magnetism I, p. 94-97, 2015
Nanoscale structural and electronic modifications of graphene
2015
Laser heated ferromagnetic simulations
Part of Ultrafast Magnetism I, p. 76-78, 2015
Dynamic stabilization of cubic AuZn
Part of Materials today: Proceedings, 2015
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Coarse-Graining Approach to Atomistic SpinDynamics
Part of ULTRAFAST MAGNETISM I, p. 162-165, 2015
Tribochemically active Ti-C-S nanocomposites – a new concept for self-lubricating coatings
2013
Part of Proceedings of the 15th European Microscopy Congress: Volume 2: Physical Sciences: Tools and Techniques, p. 727-728, 2012
Conduction properties of graphene as a function of ion irradiation and acid treatment
Part of Graphene 2011 - 11th to 14th April 2011. Bilbao, Spain., 2011
Influence of plural scattering on quantitative magnetic information measured by EMCD
Part of 10th Multinational Congress on Microscopy, Urbino, Italy; 4-9 Sep. 2011, p. 43-44, 2011
Electron Microscopy studies on stainless steel transfer onto a TiN coated cutting tool
2010
Calculations of orientation-sensitive ELNES on crystalline materials
2010
Mapping of the EMCD signal in real and reciprocal space forquantitative analysis of magnetic samples
Part of Scandem 2010 Proceedings; Stockholm, Sweden, 8-11 June 2010, 2010
Electron Microscopy studies on stainless steel transfer onto a TiN coated cutting tool
Part of 17th International Microscopy Congress - Rio de Janeiro19-24 September 2010, 2010
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The effect of induced vacancy defects on resistivity of graphene
Part of Scandem conference, Reykjavik 2009, 2009
In-situ contacting of nanosheets and remote EMCD
Part of 2nd International Workshop on Remote Electron Microscopy and In Situ Studies, Gothenburg, Sweden 16-18 November 2009, 2009
Electrical characterization of defect induced graphene nanosheets
Part of Nanotech Europe 2009 - 28-30 september Berlin, 2009
On precision of ELNES calculations for EMCD applications
Part of MC 2009 - Microscopy Conference 2009 in Graz, Austria 30/8-4/9 2009, 2009
Quantitative EMCD yields nano-information on magnetic moments
Part of EDGE 2009: International EELS-Workshop, May 17 – May 22, 2009, Banff, Alberta, Canada, 2009
Intercalation and Ultrasonic Treatment of Graphite: a New Synthetic Route to Graphene
2008
Conductivity engineering of graphene and carbon nanosheets by defect formation
Part of Conference of the American Vacuum Society, Boston, 2008, 2008
Conductivity engineering of graphene and carbon nanosheets by defect formation
Part of Conference of the American Vacuum Society, Boston, 2008, 2008
Electron magnetic circular dichroism -Optimization of signal acquisition and data evaluation
Part of European Microscopy Conference, Aachen, 2008, 2008
Control of Conductivity in Graphene by Formation of Defects
Part of AVS 55th International Symposium & Exhibition 2008, October 19-24, Boston, USA, 2008
EMCD in the TEM - Optimization of signal acquisition and data evaluation
2008
Experimental conditions and data evaluation forquantitative EMCD measurements in the TEM
Part of European Microscopy Conference, 2008
Control of Conductivity in Graphene by Formation of Defects
p. 59-59, 2008
Electronic and geometric structure of (Zn,Co)O room temperature Ferromagnets
Part of 50th MMM Meeting Program, 2005
Theoretical studies of substoichiometric MoC_(1-x)
Part of Proceedings of the International Conference on Solid-SolidPhase Transformations '99, 1999
The effect of induced vacancy defects on resistivity of graphene
Part of Scandem conference
Manuscripts (preprints)
The role of pressure-induced stacking faults on the magnetic properties of gadolinium
2023
Giant magnetocaloric effect in the (Mn,Fe)NiSi-system
2023
Multilayers of rare-earth and transition metals—a high moment magnetic material
Magnetic structure of Fe, Cr, and Mn clusters supported on Cu(111).
Elasticity model for the calculation of lattice parameters in multilayer structures
Spin dynamics of a Heisenberg model in an external and uniaxial anisotropy field
Spin dynamics simulations on an electron beam switching experiment
Ultrafast switching in AFM bilayers; a first principles spin dynamics simulation
Theoretical investigation of the volume collapse of CeOFeAs under pressure
Self-interaction correction scheme for a full-potential linear muffin-tin orbital method
A first principles study of the stability and mobility of defects in titanium carbide
Excitation spectra of the frustrated ZnMnSe and CdMnTe spin glass alloys
Atomistic spin dynamics simulations of ferrimagnetic relaxation
Magnetic asymmetry around the 3p absorption edge in Fe and Ni
Approximate Molecular and Crystal Field Excitation Energies Derived from Density Functional Theory
Theoretical investigation of a pressure induced phase transition in EuCo2P2
Electronic structure and x-ray absorption spectroscopy of TiO2 and LiTi2O4
First-principles Dzyaloshinskii-Moryia interaction in a non-collinear framework
Doping induced site-selective Mott insulating phase in LaFeO3
The standard model of the rare-earths, analyzed from the Hubbard-Iapproximation
Ultrafast switching in a synthetic antiferromagnetic random-access memory device.
Surface and interface properties of graphene on titanium carbide: A first principles study
Atom-specific magnon driven ultrafast spin dynamics in Fe1-xNix alloys
Ultrafast magnetization dynamics in magnetically frustrated NiFe2O4 ferrimagnet
Ultrafast dynamics in Fe65Co35 alloys: Effect of Re doping
Ultrafast magnetization dynamics in half-metallic Co2FeAl Heusler alloy
- Download full text 1 (pdf) of Ultrafast magnetization dynamics in half-metallic Co2FeAl Heusler alloy
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Magnetocaloric properties of nonstoichiometric Fe2P-type intermetallics near room temperature
Magneto-structural coupling strength dependent giant magnetocaloric effect in (Mn,Fe)NiSi-system
Superconductivity in amorphous MoxGe100-x: insights from first principles
Other
Part of PHYSICAL REVIEW B, p. 4409-+ Language: English, 2001