Abstract
We demonstrate by means of first-principles calculations that the high Curie temperature observed in Cr-doped In 2O 3 is mediated by intrinsic p-type defects, namely In vacancies or O interstitials. Charge transfer from Cr 3d states to the hole states formed by these defects makes Cr ions in the mixed valence state, giving rise to a strong ferromagnetic coupling. Calculated formation energies of various defects also show that doping Cr in In 2O 3 could greatly lower the formation energies of p-type intrinsic defects even in oxygen-deficient growth conditions. These results advance our understanding of the underlying physics of diluted magnetic oxides.
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