Ferromagnetic mechanism in Ni-doped anatase TiO2

Jun Chen; Guang Hong Lu; Honghong Cao; Tianmin Wang; Yun Xu

doi:10.1063/1.3002291

Ferromagnetic mechanism in Ni-doped anatase TiO₂

Jun Chen^*
, Guang Hong Lu
, Honghong Cao
, Tianmin Wang
, Yun Xu

^*此作品的通讯作者

物理学院

IAPCM
Beihang University

科研成果: 期刊稿件 › 文章 › 同行评审

21 引用（Scopus）

摘要

The ferromagnetism in Ni-doped anatase TiO₂ is studied by a series of supercell density functional calculations. Our results show that O vacancy (V_O) plays a key role of ferromagnetism in Ni-doped TiO ₂, and the magnetic origin is of Ni³⁺ ion. In the stoichiometric configuration of 2 Ni with one V_O, the system shows the ferromagnetic insulating ground state. A vacancy-mediated direct-exchange mechanism is proposed and it reasonably interprets the ferromagnetism in such structure without using the concept of charge carriers.

源语言	英语
文章编号	172504
期刊	Applied Physics Letters
卷	93
期	17
DOI	https://doi.org/10.1063/1.3002291
出版状态	已出版 - 2008

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10.1063/1.3002291

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abstract = "The ferromagnetism in Ni-doped anatase TiO2 is studied by a series of supercell density functional calculations. Our results show that O vacancy (VO) plays a key role of ferromagnetism in Ni-doped TiO 2, and the magnetic origin is of Ni3+ ion. In the stoichiometric configuration of 2 Ni with one VO, the system shows the ferromagnetic insulating ground state. A vacancy-mediated direct-exchange mechanism is proposed and it reasonably interprets the ferromagnetism in such structure without using the concept of charge carriers.",

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AU - Chen, Jun

AU - Lu, Guang Hong

AU - Cao, Honghong

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Y1 - 2008

N2 - The ferromagnetism in Ni-doped anatase TiO2 is studied by a series of supercell density functional calculations. Our results show that O vacancy (VO) plays a key role of ferromagnetism in Ni-doped TiO 2, and the magnetic origin is of Ni3+ ion. In the stoichiometric configuration of 2 Ni with one VO, the system shows the ferromagnetic insulating ground state. A vacancy-mediated direct-exchange mechanism is proposed and it reasonably interprets the ferromagnetism in such structure without using the concept of charge carriers.

AB - The ferromagnetism in Ni-doped anatase TiO2 is studied by a series of supercell density functional calculations. Our results show that O vacancy (VO) plays a key role of ferromagnetism in Ni-doped TiO 2, and the magnetic origin is of Ni3+ ion. In the stoichiometric configuration of 2 Ni with one VO, the system shows the ferromagnetic insulating ground state. A vacancy-mediated direct-exchange mechanism is proposed and it reasonably interprets the ferromagnetism in such structure without using the concept of charge carriers.

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U2 - 10.1063/1.3002291

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Ferromagnetic mechanism in Ni-doped anatase TiO2

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Ferromagnetic mechanism in Ni-doped anatase TiO₂