Abstract

We investigate the electronic structure and magnetic properties under carrier doping treatment in CuAlO2 based dilute magnetic semiconductors ((Cu0.95, Fe0.05)AlO2, (Cu0.95, Co0.05)AlO2 and (Cu0.95, V0.05)AlO2) from first‐principles for semiconductor spintronics. Hole carriers are introduced by substitutional Mg impurities on Al sites in these materials. Electorons are introduced by substituting Si by Al. The Korringa‐Kohn‐Rostoker method combined with the coherent potential approximation within the local density approximation is employed for the present purpose. It is shown that Curie temperature of (Cu0.95, V0.05)(Al1−x, Mgx)O2 and (Cu0.95, Fe0.05)(Al1−x, Xx)O2 (X=Mg, Si) affected by changing the carrier density, in contrast to the case of (Cu0.95, Co0.05)(Al1−x, Xx)O2, where Curie temperature is insensitive to the carrier density.

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