Coupling between magnetic and optical properties of GaN:TM (TM: V, Cr, Mn, Fe, Co, Ni): First-principle study with LDA-SIC approximation

Electronic structure, magnetic and optical properties of GaN:TM (TM: V, Cr, Mn, Fe, Co, Ni), based dilute magnetic semiconductors (DMS), are investigated using first-principles calculations. The energy difference between the ferromagnetic and disorder local moment states has been evaluated. Moreover, the optical absorption spectra obtained by ab-initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities. Our results show that the ferromagnetic state is stable when TM introduce simultaneously magnetic moment and intrinsic carriers in (Ga, TM)N. Some studied ferromagnetic DMS exhibit half-metallic behavior, which is suitable for spintronics applications.