Carsten A. Ullrich

Mar 16, 2023 | link.aps.org | Daniel Hill |Carsten A. Ullrich |Justin Shotton

Abstract In spin-density functional theory (SDFT) for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc magnetic fields is not very well explored; in particular, they can give rise to local torques on the magnetization, which are absent in standard local and semilocal approximations.