Abstract
Based on hybrid density-functional calculations, we propose that ferromagnetism in the prototypical bixbyite sesquioxide doped with Cr is due to Cr-oxygen vacancy complexes, while isolated Cr cannot support carrier-mediated magnetic coupling. Our proposal is consistent with experimental facts such as the onset of ferromagnetism in O-lean conditions only, the low or vanishing net moment in unintentionally doped material, and its increase upon intentional doping.
- Received 13 December 2013
- Revised 8 April 2014
DOI:https://doi.org/10.1103/PhysRevB.89.134423
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