Impurity-vacancy complexes and ferromagnetism in doped sesquioxides

Abstract

Based on hybrid density-functional calculations, we propose that ferromagnetism in the prototypical bixbyite sesquioxide In${}_2$O${}_3$ 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.

4 pages, 2 figures

References in corpus (1)

• Impurity-Ion pair induced high-temperature ferromagnetism in Co-doped ZnO

Cited by in corpus (2)

• In2O3 doped with hydrogen: electronic structure and optical properties from the pseudopotential Self-Interaction Corrected Density Functional Theory and the Random Phase Approximation
• Structure and gap of low-$x$ (Ga${}_{1-x}$In${}_x$)${}_2$O${}_3$ alloys