Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In

[Image: see text] Using density functional theory calculations, we examine the effect of hole doping on the magnetic and electronic properties of CuM(IIIA)O(2), with M(IIIA) = Al, Ga, and In. CuM(IIIA)O(2) nonmagnetic semiconductors switch to ferromagnetic half-metals upon hole doping. For CuAlO(2), the nonmagnetic-to-ferromagnetic transition occurs for hole densities of ∼7 × 10(19)/cm(3). Ferromagnetism arises from an exchange splitting of the electronic states at the valence band edge, and it can be attributed to the high-lying Cu-d states. Hole doping induced by cation vacancies and substitutional divalent dopants is also investigated. Interestingly, both vacancies and nonmagnetic divalent dopants result in the emergence of ferromagnetism.