Electronic structures and half-metallicity of carbon doped bulk and surface CdS: The modified Becke-Johnson potential calculation

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• 作者：X.N. Huang ; S.W. Fan ; ^{fansw1129@126.com} ; L.Q. Pan
• 关键词：C. Electronic structures ; B. Modified Becke-Johnson potential ; D. Ferromagnetism
• 刊名：Solid State Communications
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：250
• 期：Complete
• 页码：108-111
• 全文大小：502 K
• 卷排序：250

文摘

The CS defects could induce the bulk and surface CdS to be typical half metallic ferromagnet. Electronic structures show ferromagnetism come from p-d exchange-like p-p coupling. Chemical pair interactions indicate CS tend to from the clustering distribution in CdS host. Sulfur vacancy would force the CdS with CS defect losing magnetism.