Ab initio studies of half-metallic ferromagnetism in carbon-doped CeO2

Xiao WZ; Wang LL; Xu LWan QPan AL

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Ab initio studies of half-metallic ferromagnetism in carbon-doped CeO2

机译：Ab initio studies of half-metallic ferromagnetism in carbon-doped CeO2

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The electronic structures and magnetic properties in Carbon-doped CeO2 have been investigated by means of first-principles calculations based on the LSDA+U scheme. The results demonstrate a magnetic moment of 2.00 mu(B) per supercell with one Carbon dopant which mainly stems from Hund's rule coupling based on rather localized 2p, 5d and 4f states. The hole-mediated long-range magnetic coupling between local magnetic moments can be attributed to the collective effects of the p-p, p-d, and p-f hybridizations between C and neighboring O or Ce atoms. Ferromagnetism and half-metallic characteristics of C-doped CeO2 make it possible to be an ideal material for spintronic devices.

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来源
《Solid State Communications》 |2010年第20期|923-927|共5页
作者
Xiao WZ; Wang LL; Xu LWan QPan AL;
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作者单位

Hunan Univ, Key Lab Micronano Optoelect Devices, Minist Educ, Changsha 410082, Hunan, Peoples R China.;

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正文语种英语
中图分类固体物理学;
关键词
Diluted magnetic semiconductors; Carbon-doped CeO2; Magnetic properties; Electronic structure;

Ab initio studies of half-metallic ferromagnetism in carbon-doped CeO2

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