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Abstract

Based on density functional theory calculations, the electronic structure and magnetic properties of C-doped BaTiO3 are investigated. It is found that the BaTiO3 doped by a nonmagnetic 2p light element (C) is ferromagnetic. The local magnetic moment is mainly localized on doped C atoms for Csub, while ferromagnetism in Cins comes from precipitation of magnetic ions Ti3+. Our results indicate that the proposed C-doped BaTiO3 is a potential candidate for dilute magnetic semiconductor material and multiferroics material.

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Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 61078057, 51172183), and the Doctoral Foundation for Scientific Research of Hubei University for Nationalities.

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Vol. 61, Issue 24 - 2012-12-20

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