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

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dc.creatorErrico, L. A.
dc.creatorWeissmann, M.
dc.creatorRenteria, M.
dc.date2008-04-23
dc.date.accessioned2026-07-07T09:34:14Z
dc.date.available2026-07-07T09:34:14Z
dc.descriptionUsing 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.
dc.description5 pages and 4 figures, published in Physica Status Solidi (b)
dc.identifierhttps://arxiv.org/abs/0804.3646
dc.identifierhttp://arxiv.org/abs/0804.3646
dc.identifierPhys. Stat. Sol. (b) 241, 2399 (2004)
dc.identifierdoi:10.1002/pssb.200304869
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/159421
dc.subjectMaterials Science
dc.titleAb initio study of ferromagnetism induced by magnetic impurities in rutile TiO2
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