365 citations · 1.5k across the 28 of their papers we have counts for
8 papers · 1 filter
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…
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…
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…
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…
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…