Effective exchange interactions in CuAlO_2-based dilute magnetic semiconductors by first-principles calculations

摘要

Effective exchange interactions (J_(ij)) between magnetic ions in CuAlO_2-based dilute magnetic semiconductors (DMS) are investigated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation within the local density approximation. It is found that the Jy between magnetic ions are short-ranged and J_(ij)'s between magnetic ions in the same Cu-plane are ferromagnetic and ones between different Cu-planes are negligible in CuAlO_2-based DMS. In comparison to this, J_(ij)'s between magnetic impurities occupied at Al-sites are slightly longer-ranged due to the stronger hybridization effect.