Yaroslav Kvashnin
Researcher at Department of Physics and Astronomy; Materials Theory
- E-mail:
- Yaroslav.Kvashnin@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
752 37 Uppsala - Postal address:
- Box 524
751 20 UPPSALA
- CV:
- Download CV
- ORCID:
- 0000-0002-4238-5733
Short presentation
I study magnetic materials using first principles methods based on density functional theory. For this purpose, I develop computational methods and run simulations, whose outcomes are then directly compared with experiment. The final goal is to be able to predict all the main properties of an arbitrary material, such as its ordering temperature, coercive field or its excitation spectra. I am particularly interested in the magnets with non-collinear ordering and strong electron correlations.
Keywords
- density functional theory
- correlated electron systems
- magnetism
- magnetic materials
- dynamical mean field theory
Research
- ab initio modelling of magnetic materials, their dynamics and finite temperature properties
- Non-collinear magnetism: theoretical modelling and applications
- Interplay between magnetism and strong electron correlations in 3d metals, oxides and rare-earths
- Theoretical interpretation of XAS / XES / XPS spectra
- Physics of magnetic materials under high pressure

Publications
Selection of publications
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Part of Physical Review B, 2018
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The Bethe-Slater curve revisited; new insights from electronic structure theory
Part of Scientific Reports, 2017
- DOI for The Bethe-Slater curve revisited; new insights from electronic structure theory
- Download full text (pdf) of The Bethe-Slater curve revisited; new insights from electronic structure theory
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Theory of L-edge spectroscopy of strongly correlated systems
Part of Physical Review B, 2017
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Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
Part of Physical Review Letters, 2017
- DOI for Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
- Download full text (pdf) of Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
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Part of Physical Review B, 2017
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Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe
Part of Physical Review Letters, 2016
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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
- DOI for Electronic topological transition and noncollinear magnetism in compressed hcp Co
- Download full text (pdf) of Electronic topological transition and noncollinear magnetism in compressed hcp Co
Recent publications
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Part of Physical Review B, 2025
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The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
Part of Materials Research Letters, p. 655-661, 2023
- DOI for The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
- Download full text (pdf) of The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
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Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
Part of Physical Review Research, 2023
- DOI for Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
- Download full text (pdf) of Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
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Part of Physical Review B, 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
- Download full text (pdf) of Unraveling the connection between high-order magnetic interactions and local-to-global spin Hamiltonian in noncollinear magnetic dimers
All publications
Articles in journal
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Part of Physical Review B, 2025
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The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
Part of Materials Research Letters, p. 655-661, 2023
- DOI for The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
- Download full text (pdf) of The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
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Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
Part of Physical Review Research, 2023
- DOI for Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
- Download full text (pdf) of Resistive switching in graphene: A theoretical case study on the alumina-graphene interface
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Part of Physical Review B, 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
- Download full text (pdf) of Unraveling the connection between high-order magnetic interactions and local-to-global spin Hamiltonian in noncollinear magnetic dimers
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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
- Download full text (pdf) of 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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Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
Part of The Journal of Physical Chemistry Letters, p. 4877-4883, 2022
- DOI for Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
- Download full text (pdf) of Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
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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
- Download full text (pdf) of Insights and Implications of Intricate Surface Charge Transfer and sp3-Defects in Graphene/Metal Oxide Interfaces
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Magnetism between magnetic adatoms on monolayer NbSe2
Part of 2D Materials, 2022
- DOI for Magnetism between magnetic adatoms on monolayer NbSe2
- Download full text 1 (pdf) of Magnetism between magnetic adatoms on monolayer NbSe2
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Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles
Part of Science Advances, 2022
- DOI for Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles
- Download full text (pdf) of Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles
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Spin-lattice couplings in two-dimensional CrI3 from first-principles computations
Part of Physical Review B, 2022
- DOI for Spin-lattice couplings in two-dimensional CrI3 from first-principles computations
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Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure
Part of Physical Review B, 2022
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Comment on "Proper and improper chiral magnetic interactions"
Part of Physical Review B, 2022
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Uniaxial pressure effects in the two-dimensional van der Waals ferromagnet CrI3
Part of Physical Review B, 2022
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Dynamical correlations in single-layer CrI3
Part of Physical Review B, 2022
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Perpendicular and In-Plane Hole Asymmetry in a Strained NiFe2O4 film
Part of Journal of Physics, 2021
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Nature of the magnetic moment of cobalt in ordered FeCo alloy
Part of Journal of Physics, 2021
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Monolayer CrCl3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism
Part of Physical Review Letters, 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
- Download full text (pdf) of 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
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Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
Part of Physical Review B, 2021
- DOI for Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
- Download full text (pdf) of Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
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Ultrafast magnetization dynamics in the half-metallic Heusler alloy Co2FeAl
Part of Physical Review B, 2021
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A DMI Guide to Magnets Micro-World
Part of Journal of Experimental and Theoretical Physics, p. 506-516, 2021
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First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
Part of Scientific Reports, 2020
- DOI for First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
- Download full text (pdf) of First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
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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
- Download full text (pdf) of Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals
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Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors
Part of Physical Review Materials, 2020
- DOI for Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors
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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
- Download full text (pdf) of Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory
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Relativistic exchange interactions in CrX3 (X = Cl, Br, I) monolayers
Part of Physical Review B, 2020
- DOI for Relativistic exchange interactions in CrX3 (X = Cl, Br, I) monolayers
- Download full text (pdf) of Relativistic exchange interactions in CrX3 (X = Cl, Br, I) monolayers
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Part of Science Advances, 2020
- DOI for Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation
- Download full text (pdf) of Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation
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Part of European Physical Journal B, 2019
- DOI for Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions
- Download full text (pdf) of Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions
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Large easy-axis anisotropy in the one-dimensional magnet BaMo(PO4)(2)
Part of Physical Review B, 2019
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Spin polaronics: Static and dynamic properties of spin polarons in La-doped CaMnO4
Part of Physical Review B, 2019
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Microscopic theory of ultrafast out-of-equilibrium magnon-phonon dynamics in insulators
Part of Physical Review B, 2019
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Peculiar magnetic states in the double perovskite Nd2NiMnO6
Part of Physical Review B, 2019
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Part of Physical Review B, 2019
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Part of Physical Review B, 2019
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Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory
Part of Physical Review B, 2018
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Nonlocal Gilbert damping tensor within the torque-torque correlation model
Part of Physical Review Materials, 2018
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Part of Physical Review Materials, 2018
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Part of Physical Review B, 2018
- DOI for Effects of Ga doping on magnetic and ferroelectric properties of multiferroic delafossite CuCrO2: Ab initio and Monte Carlo approaches
- Download full text (pdf) of Effects of Ga doping on magnetic and ferroelectric properties of multiferroic delafossite CuCrO2: Ab initio and Monte Carlo approaches
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Role of the orbital moment in a series of isostructural weak ferromagnets
Part of Physical Review B, 2018
- DOI for Role of the orbital moment in a series of isostructural weak ferromagnets
- Download full text (pdf) of Role of the orbital moment in a series of isostructural weak ferromagnets
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Part of Physical Review B, 2018
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Half-metallicity and magnetism in the Co2MnAl/CoMnVAl heterostructure
Part of Physical Review B, 2018
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Part of Physical Review B, 2018
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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
- DOI for Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface
- Download full text (pdf) of Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface
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The Bethe-Slater curve revisited; new insights from electronic structure theory
Part of Scientific Reports, 2017
- DOI for The Bethe-Slater curve revisited; new insights from electronic structure theory
- Download full text (pdf) of The Bethe-Slater curve revisited; new insights from electronic structure theory
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Prediction of the new efficient permanent magnet SmCoNiFe3
Part of Physical Review B, 2017
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Theory of L-edge spectroscopy of strongly correlated systems
Part of Physical Review B, 2017
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Exchange interactions of CaMnO3 in the bulk and at the surface
Part of Physical Review B Condensed Matter, 2017
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Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe
Part of Physical Review B, 2017
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Magnetism and ultrafast magnetization dynamics of Co and CoMn alloys at finite temperature
Part of Physical review B, 2017
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Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
Part of Physical Review Letters, 2017
- DOI for Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
- Download full text (pdf) of Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators
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Spin-polaron formation and magnetic state diagram in La-doped CaMnO3
Part of Physical Review B, 2017
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Part of Physical Review B, 2017
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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
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High photon energy spectroscopy of NiO: Experiment and theory
Part of PHYSICAL REVIEW B, 2016
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Part of Physical Review B. Condensed Matter and Materials Physics, 2016
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Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe
Part of Physical Review Letters, 2016
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Reproducibility in density functional theory calculations of solids.
Part of Science, p. 1415-1422, 2016
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Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.
Part of Inorganic Chemistry, p. 2791-2805, 2016
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Standard model of the rare earths analyzed from the Hubbard I approximation
Part of PHYSICAL REVIEW B, 2016
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Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6
Part of PHYSICAL REVIEW B, 2016
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Structure and magnetism of cobalt at high pressure and low temperature
Part of PHYSICAL REVIEW B, 2016
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Part of Analytical Chemistry, p. 8772-8780, 2015
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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
- Download full text (pdf) of Layer-resolved magnetic exchange interactions of surfaces of late 3d elements: Effects of electronic correlations
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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
- DOI for Electronic topological transition and noncollinear magnetism in compressed hcp Co
- Download full text (pdf) of Electronic topological transition and noncollinear magnetism in compressed hcp Co
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First-principles modeling of magnetic excitations in Mn-12
Part of Physical Review B. Condensed Matter and Materials Physics, p. 214422, 2014
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Part of Journal of Electron Spectroscopy and Related Phenomena, p. 27-36, 2014
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Origin of the magnetostructural coupling in FeMnP0.75Si0.25
Part of Physical Review B. Condensed Matter and Materials Physics, p. 214436, 2014
- DOI for Origin of the magnetostructural coupling in FeMnP0.75Si0.25
- Download full text (pdf) of Origin of the magnetostructural coupling in FeMnP0.75Si0.25
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Kinetic arrest induced antiferromagnetic order in hexagonal FeMnP0.75Si0.25 alloy
Part of Applied Physics Letters, p. 262405, 2014
Articles, review/survey
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Quantitative theory of magnetic interactions in solids
Part of Reviews of Modern Physics, 2023
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2p x-ray absorption spectroscopy of 3d transition metal systems
Part of Journal of Electron Spectroscopy and Related Phenomena, 2021
- DOI for 2p x-ray absorption spectroscopy of 3d transition metal systems
- Download full text (pdf) of 2p x-ray absorption spectroscopy of 3d transition metal systems
Manuscripts (preprints)
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Magnetic asymmetry around the 3p absorption edge in Fe and Ni
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First-principles Dzyaloshinskii-Moryia interaction in a non-collinear framework
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The standard model of the rare-earths, analyzed from the Hubbard-Iapproximation
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Doping induced site-selective Mott insulating phase in LaFeO3
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Ultrafast magnetization dynamics in magnetically frustrated NiFe2O4 ferrimagnet
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Ultrafast dynamics in Fe65Co35 alloys: Effect of Re doping
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Ultrafast magnetization dynamics in half-metallic Co2FeAl Heusler alloy
- Download full text 1 (pdf) of Ultrafast magnetization dynamics in half-metallic Co2FeAl Heusler alloy
- Download full text 2 (pdf) of Ultrafast magnetization dynamics in half-metallic Co2FeAl Heusler alloy