Room-Temperature Ferromagnetism in Co-Doped TiO$_2$ Anatase: Role of Interstitial Co

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dc.creatorGeng, W. T.
dc.creatorKim, K. S.
dc.date2003-06-15
dc.date.accessioned2026-07-07T02:51:50Z
dc.date.available2026-07-07T02:51:50Z
dc.descriptionTiO$_2$ anatase doped with Co has been recently reported to exhibit room-temperature ferromagnetism. $Ab$ $initio$ study on substitutional Co doping, however, yielded much larger magnetic moment for Co than experiment. Our calculations based on density-functional theory show that the substitutional Co ions incorporated into TiO$_2$ anatase tend to cluster and then the neighboring interstitial tetrahedral sites become energetically favorable for Co to reside, yielding a local environment more like Co$_3$O$_4$ than CoTiO$_3$. The interstitial Co destroys the spin-polarization of the surrounding substitutional Co but enhances the stability of the ferromagnetism significantly. In the absence of carriers, this room-temperature ferromagnetism can only be accounted for by superexchange interaction.
dc.description5 pages, 3 figures; submitted to PRL on December 26,2002
dc.identifierhttps://arxiv.org/abs/cond-mat/0306389
dc.identifierhttp://arxiv.org/abs/cond-mat/0306389
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21618
dc.subjectMaterials Science
dc.titleRoom-Temperature Ferromagnetism in Co-Doped TiO$_2$ Anatase: Role of Interstitial Co
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