Ab initio study of ferromagnetism induced by magnetic impurities in rutile TiO2

Abstract

Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO2 were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the Full-Potential Linearized-Augmented Plane Waves (FLAPW) method, assuming that the magnetic impurities substitutionally replace the Ti ions. Our results show that the systems (with the exception of Ni-doped TiO2) are ferromagnetic. We also found that polarization mainly occurs at the impurity sites, and the magnetic moments of the impurities are independent of the impurity concentration.

arXiv comment5 pages and 4 figures, published in Physica Status Solidi (b)

References in corpus (2)

• High Temperature Ferromagnetism with Giant Magnetic Moment in Transparent Co-doped SnO2-d
• Electronic structures of doped anatase $\mathrm{Ti}{\mathrm{O}}_2$: $\mathrm{T}{\mathrm{i}}_{1-\mathrm{x}}{\mathrm{M}}_{\mathrm{x}}{\mathrm{O}}_2$ (M=Co, Mn, Fe, Ni)

Cited by in corpus (1)

• Appearance of room temperature ferromagnetism in Cu-doped TiO${}_{2-\delta }$ films