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	Ab initio calculations of the electronic structures of copper pyrites CuS2, CuSe2 and CuTe2
	Hou, Z. F. ; Li, A. Y. ; Zhu, Z. Z. ; Huang, M. C. ; Huang MC(黄美纯)
	2004-07
关键词	GROUND-STATE PROPERTIES 4D-TRANSITION METALS
英文摘要	The electronic structures of CuS2, CuSe2 and CuTe2 with pyrite structures, within the framework the density-functional theory have been investigated. The calculated results explained the recent experimental results which show that there is no clear indication of strong electron correlations in the electronic properties of Cu pyrites, due to the dominant chalcogen p character rather than d characteristic of Cu at the Fermi level.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/70563]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	Hou, Z. F.,Li, A. Y.,Zhu, Z. Z.,et al. Ab initio calculations of the electronic structures of copper pyrites CuS2, CuSe2 and CuTe2[J],2004.
APA	Hou, Z. F.,Li, A. Y.,Zhu, Z. Z.,Huang, M. C.,&黄美纯.(2004).Ab initio calculations of the electronic structures of copper pyrites CuS2, CuSe2 and CuTe2..
MLA	Hou, Z. F.,et al."Ab initio calculations of the electronic structures of copper pyrites CuS2, CuSe2 and CuTe2".(2004).

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