Material design of GaN-based ferromagnetic diluted magnetic semiconductors

Material design of GaN-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density appr oximation. The electronic structure of 3d-transition-metal-atom-doped GaN w as calculated by the Korringa-Kohn-Rostoker method combined with the cohere nt potential approximation. It was found that the ferromagnetic ground stat es were readily achievable in V-, Cr- or Mn-doped GaN without any additiona l carrier doping treatments. A simple explanation on the systematic behavio r of the magnetic states in GaN-based diluted magnetic semiconductors is al so given.