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	Structural stability and electronic structures of Nb atomic chains
	Shen, H. X. ; Cai, N. L. ; Wen, Y. H. ; Zhu, Z. Z. ; Wen YH(文玉华)
	2005-09
关键词	BRILLOUIN-ZONE INTEGRATIONS GOLD ATOMS WIRE
英文摘要	The structural stabilities and electronic structures of Nb atomic chains are studied by employing first-principles plane wave pseudopotential method based on the density functional theory. The calculations show that niobium can form planar chains in linear-, zigzag-, dimer- and ladder-form one-dimensional structures. The most stable one among the studied structures are the zigzag-form linear chain, and all the other structures are metastable. The relative structural stability, the electronic energy bands, the density of states and the charge densities are discussed based on the ab initio calculations and the Jahn-Teller effects.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/69262]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	Shen, H. X.,Cai, N. L.,Wen, Y. H.,et al. Structural stability and electronic structures of Nb atomic chains[J],2005.
APA	Shen, H. X.,Cai, N. L.,Wen, Y. H.,Zhu, Z. Z.,&文玉华.(2005).Structural stability and electronic structures of Nb atomic chains..
MLA	Shen, H. X.,et al."Structural stability and electronic structures of Nb atomic chains".(2005).

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