Mean field approximation and ab initio calculation of magnetic and optical properties of DyN doped with transition metals (TM: V and Cr)

The structural, optical, and magnetic properties of rare earth nitride Dy 0.95 TM 0.05 N (TM: V and Cr) diluted magnetic semiconductors have been investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation. In this work, the effect of GGA–SIC approximations on the electronic properties was investigated in detail. It is revealed from calculating the density of states (DOS) and optical absorption spectra that the ferromagnetic state is stable when TM introduces magnetic moments in Dy 0.95 TM 0.05 N (TM: V and Cr). Using the mean field approximation (MFA), the Curie temperature is determined by the total energy difference per V and Cr atoms between the disorder local moment (DLM) and ferromagnetic (FM) state within the ambient conditions, which becomes more important by increasing the concentration or by co-doping (V, Cr) DyN systems.