To understand the electronic and magnetic properties, we have studied
Cr-doped zinc-blende AlN system in detail by applying a first-principle plane
wave pseudopotential method based on the density functional theory within
the local spin density approximation. The analyses of the band structures,
density of states, exchange interactions, and magnetic moments show that
Al1−xCrxN alloys may exhibit a half-metallic ferromagnetism
character, that Cr in the diluted doping limit forms near-midgap deep
levels, and that the total magnetization of the cell is 3μB per
Cr atom, which does not change with Cr concentration. Moreover, we have
succeeded in predicting that Al1−xCrxN alloys in x = 0.0625 has a
very high Curie temperature, and find that ferromagnetic exchange
interaction between magnetic dopants is short-ranged.