We investigated the electronic and magnetic properties for a diluted magnetic semiconductor of 3d-metal Mn-doped chalcopyrite (CH) AlAs, GaAs, and AlGaAs₂ semiconductors by using the first-principle calculations. The CH-AlGaAs₂:Mn without the defe...
We investigated the electronic and magnetic properties for a diluted magnetic semiconductor of 3d-metal Mn-doped chalcopyrite (CH) AlAs, GaAs, and AlGaAs₂ semiconductors by using the first-principle calculations. The CH-AlGaAs₂:Mn without the defects exhibits the ferromagnetic and half-metallic states. For the system of CH-Al(Ga,Mn)As₂, the ferromagnetism with high magnetic moment of Mn is induced from the exchange couplings between Mn-3d and As-4p bands. The partially unoccupied majority-spin Mn-
3d and As-4p states are induced. Thus the Mn moments couple to holes by an on-site exchange interaction due to the overlap of the hole wave-function with the Mn-3d (or As-4p) electrons. The electronic and magnetic properties for Mn-doped CH-AlAs and CHGaAs systems were compared with that of CH-Al(Ga,Mn)As₂. It is noticeable that high magnetic moment induces from the characteristics by holes-mediated double-exchange coupling.