Based on hybrid density-functional calculations, we propose that ferromagnetism in the prototypical bixbyite sesquioxide In2O3 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. © 2014 American Physical Society.

Impurity-vacancy complexes and ferromagnetism in doped sesquioxides

Cesaria M.
Methodology
;
2014-01-01

Abstract

Based on hybrid density-functional calculations, we propose that ferromagnetism in the prototypical bixbyite sesquioxide In2O3 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. © 2014 American Physical Society.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11587/452900
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