Ab initio studies of half-metallic ferro
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Wen-Zhi Xiao; Ling-Ling Wang; Liang Xu; Qing Wan; An-Lian Pan
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Article
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2010
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Elsevier Science
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English
β 861 KB
The electronic structures and magnetic properties in Carbon-doped CeO 2 have been investigated by means of first-principles calculations based on the LSDA+U scheme. The results demonstrate a magnetic moment of 2.00 Β΅ B per supercell with one Carbon dopant which mainly stems from Hund's rule coupling