Based on the first-principles calculations, the electronic structure and magnetic properties of Fe-doped In2O3 were theoretically investigated. The presence of the predominating defects in oxide, i.e., O vacancies, could lead to strong ferromagnetic coupling between the nearest neighboring Fe cations. Spin density and band-projected charge distribution in the vicinity of the O vacancies reveal that the ferromagnetic exchange was mediated by the donor impurity state, which mainly consists of Fe:3d and Fe:4s electrons trapped in O vacancies. Such results provide direct evidence for the F-center mediated exchange interaction in oxide-based magnetic semiconductors.

Electronic Structure of Fe-Doped In2O3 Magnetic Semiconductor with Oxygen Vacancies - Evidence for F-Center Mediated Exchange Interaction. S.Hu, S.Yan, X.Lin, X.Yao, Y.Chen, G.Liu, L.Mei: Applied Physics Letters, 2007, 91[26], 262514