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	Jahn-Teller effect in the Nb planar atomic sheet
	Chen Lu-Zhuo ; Wang Xiao-Chun ; Wen Yu-Hua ; Zhu Zi-Zhong
	2010-05-06 ; 2010-05-06
关键词	Nb atomic sheet Jahn-Teller effect electronic structures ab initio calculations BRILLOUIN-ZONE INTEGRATIONS Physics, Multidisciplinary
中文摘要	The structural stability and electronic structures of Nb planar atomic sheets are studied by employing first-principles plane wave pseudopotential method based on the density functional theory. The calculations for all the 2-dimensional lattice structures show that, as a result of Jahn-Teller effect, the high-symmetry square and hexagonal two-dimensional structures are metastable. The most stable structures are the low-symmetry oblique and centered rectangular structures, which are the distorted structures of the hexagonal 2-D structure due to Jahn-Teller effect. The 2-D rectangular structure of Nb atomic sheet can not be formed. The relative structural stabilities, the electronic energy bands and the density of states are discussed based on the ab initio calculations and the Jahn-Teller effect.
语种	中文 ; 中文
出版者	CHINESE PHYSICAL SOC ; BEIJING ; P O BOX 603, BEIJING 100080, PEOPLES R CHINA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/14493]
专题	清华大学
推荐引用方式 GB/T 7714	Chen Lu-Zhuo,Wang Xiao-Chun,Wen Yu-Hua,et al. Jahn-Teller effect in the Nb planar atomic sheet[J],2010, 2010.
APA	Chen Lu-Zhuo,Wang Xiao-Chun,Wen Yu-Hua,&Zhu Zi-Zhong.(2010).Jahn-Teller effect in the Nb planar atomic sheet..
MLA	Chen Lu-Zhuo,et al."Jahn-Teller effect in the Nb planar atomic sheet".(2010).

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