activity
20072026
most citedMaximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites

154 citations · 879 across the 23 of their papers we have counts for

collaborators
Showing 2009 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2009★ 120 cited

The multiferroic phase of DyFeO:an ab--initio study

Alessandro Stroppa, Martijn Marsman, Georg Kresse +1

By performing accurate ab-initio density functional theory calculations, we study the role of electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO$…

cond-mat.mtrl-sci2009★ 33 cited

Determining the Anisotropic Exchange Coupling of CrO_2 via First-Principles Density Functional Theory Calculations

H. Sims, S. J. Oset, W. H. Butler +2

We report a study of the anisotropic exchange interactions in bulk CrO_2 calculated from first principles within density functional theory. We determine the exchange coupling energ…