Electronic and magnetic properties of 3d transition-metal-doped GaAs

Electronic band-structure calculations are carried out for the hypothetical zinc-blende phase of 3d transition-metal monoarsenides as well as periodic supercells of 3d transition-metal-doped GaAs by using the full-potential linearized augmented-plane-wave method. The antiferromagnetic state is stable for zinc-blende FeAs, while the ferromagnetic state is stable for zinc-blende VAs, CrAs, and MnAs. It is expected that (Ga,Cr)As becomes ferromagnetic due to the presence of mobile valence-band carriers (holes), since the electronic band-structure in the ferromagnetic state of (Ga,Cr)As is very similar to that of (Ga,Mn)As.