CURRENT-DENSITY FUNCTIONAL THEORY OF SPONTANEOUSLY MAGNETIZED SOLIDS

The first application of current density functional theory (CDFT) to s pontaneously magnetised solids is presented. We show that non-relativi stic CDFT without spin-orbit coupling does not lead to finite orbital currents. In accordance with experiment, an enhancement of the spin-or bit-induced orbital magnetic moment is found for the ferromagnets Fe a nd Co, while for Ni only a minor change was found compared to a plain calculation done within spin density functional theory (SDFT).