365 citations · 1.5k across the 28 of their papers we have counts for
29 papers
Unraveling the connection between high-order magnetic interactions and local-to-global spin Hamiltonian in non-collinear magnetic dimers
Ramon Cardias, Jhonatan dos Santos Silva, Anders Bergman +7
A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A de…
Quantitative theory of magnetic interactions in solids
Attila Szilva, Yaroslav Kvashnin, Evgeny A. Stepanov +4
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as H…
Thermally-induced magnetic order from glassiness in elemental neodymium
Benjamin Verlhac, Lorena Niggli, Anders Bergman +8
Temperature in thermodynamics is synonymous with disorder, and responsible for ultimately destroying ordered phases. Here, we show an unusual magnetic transition where, with increa…
Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
Vladislav Borisov, Yaroslav O. Kvashnin, Nikolaos Ntallis +8
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such a…
First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
R. Cardias, A. Szilva, M. M. Bezerra-Neto +7
We have derived an expression of the Dzyaloshinskii-Moriya (DM) interaction, where all the three components of the DM vector can be calculated independently, for a general, non-col…
Nature of the magnetic moment of cobalt in ordered FeCo alloy
Arsenii Gerasimov, Lars Nordström, Sergii Khmelevskyi +2
The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investiga…
Magnetic anisotropy in Permalloy: hidden quantum mechanical features
Debora C M Rodrigues, Angela B Klautau, Alexander Edström +5
By means of relativistic, first principles calculations, we investigate the microscopic origin of the vanishingly low magnetic anisotropy of Permalloy, here proposed to be intrinsi…
Exchange interactions of CaMnO3 in the bulk and at the surface
Samara Keshavarz, Yaroslav Kvashnin, Debora Rodrigues +7
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density f…
Electronic structure and spin-orbit driven novel magnetism in d4.5 insulator Ba3YIr2O9
S. K. Panda, S. Bhowal, Ying Li +4
We have carried out a detailed first-principles study of a d quaternary iridate BaYIrO both in its 6H-perovskite-type ambient pressure (AP) phase and also for t…
Microscopic origin of Heisenberg and non-Heisenberg exchange interactions in ferromagnetic bcc Fe
Y. O. Kvashnin, R. Cardias, A. Szilva +6
By means of first principles calculations we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure re…
Microscopic Theory for Coupled Atomistic Magnetization and Lattice Dynamics
J. Fransson, D. Thonig, P. F. Bessarab +3
A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The…
Non-trivial order parameter in SrIrO
Shreemoyee Ganguly, Oscar Granas, Lars Nordstrom
Electronic structure calculations obtained with an approach with density functional theory with an enhanced local Coulomb interaction, DFT+, are presented for the relativistic m…
Electronic structure, cohesive properties and magnetism of SrRuO; a theoretical investigation
Oscar Grånäs, Igor di Marco, Olle Eriksson +2
We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+H…
The macroscopic monopolization in diagonal magnetoelectrics
Nicola A. Spaldin, Michael Fechner, Eric Bousquet +2
We develop the formalism of the macroscopic monopolization -- that is the monopole moment per unit volume -- in periodic solids, and discuss its relationship to the diagonal magnet…
Interatomic exchange interactions in non-collinear magnets
A. Szilva, M. Costa, A. Bergman +3
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has…
Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications
O. Grånäs, I. Di Marco, P. Thunström +4
Full charge self-consistence (CSC) over the electron density has been implemented into the local density approximation plus dynamical mean-field theory (LDA+DMFT) scheme based on a…
Atomistic spin dynamic method with both damping and moment of inertia effects included from first principles
S. Bhattacharjee, L. Nordström, J. Fransson
We consider spin dynamics for implementation in an atomistic framework and we address the feasibility of capturing processes in the femtosecond regime by inclusion of moment of ine…
A route towards finding large magnetic anisotropy in nano-composites: application to a WRe/Fe multilayer
Sumanta Bhandary, Oscar Grånäs, Laszlo Szunyogh +3
We suggest here a novel nano-laminate, 5[Fe]/2[WRe] (x=0.6-0.8), with enhanced magnetic hardness in combination with a large saturation moment. The calculated magnetic…
From collinear to vortex magnetic structures in Mn corrals on Pt(111)
M. S. Ribeiro, G. B. Corrêa, A. Bergman +3
We study the magnetic properties of small Mn ring shaped clusters on a Pt(111) surface in the framework of density functional theory. We find that the Mn atoms possess large magnet…
Itinerant magnetic multipole moments of rank five, triakontadipoles, as the hidden order in URuSi
Francesco Crichhio, fredrik Bultmark, Oscar Granas +1
A broken symmetry ground state without any magnetic moments has been calculated by means of local-density-approximation to density functional theory plus a local exchange term, the…
Multipole decomposition of LDA+ energy and its application to actinides compounds
Fredrik Bultmark, Francesco Cricchio, Oscar Grånäs +1
A general reformulation of the exchange energy of -shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. T…
Simulation of a spin-wave instability from atomistic spin dynamics
J. Hellsvik, B. Skubic, L. Nordström +1
We study the spin dynamics of a Heisenberg model at finite temperature in the presence of an external field or a uniaxial anisotropy. For the case of the uniaxial anisotropy our si…
Dynamics of diluted magnetic semiconductors from atomistic spin dynamics simulations: Mn doped GaAs as a case study
J. Hellsvik, B. Skubic, L. Nordström +4
The dynamical behavior of the magnetism of diluted magnetic semiconductors (DMS) has been investigated by means of atomistic spin dynamics simulations. The conclusions drawn from t…
A method for atomistic spin dynamics simulations: implementation and examples
B. Skubic, J. Hellsvik, L. Nordström +1
We present a method for performing atomistic spin dynamic simulations. A comprehensive summary of all pertinent details for performing the simulations such as equations of motions,…