First-principles study of the (2,2) carbon nanotube

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	First-principles study of the (2,2) carbon nanotube
	Mao, YL; Yan, XH; Xiao, Y; Xiang, J; Yang, YR; Yu, HL; Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
刊名	PHYSICAL REVIEW B
	2005
卷号	71 期号:3 页码:-
关键词	Carbon Nanotube Materials Science Energetics Tubules
ISSN号	1098-0121
英文摘要	Using first-principles calculations, we investigate the structural stability and electronic properties of the smallest (2,2) carbon nanotube as the inner wall of the double-walled carbon nanotubes. The results indicate that an isolated (2,2) carbon nanotube is unstable upon unrolling in free space, while it can exist within (6,6) and, especially, within (7,7) carbon nanotubes. In addition, a spontaneous symmetry breaking of the isolated (2,2) nanotube produces an energy gap at Fermi level converting it into a semiconductor.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:000226735900025
公开日期	2012-08-30
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/13917]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
推荐引用方式 GB/T 7714	Mao, YL,Yan, XH,Xiao, Y,et al. First-principles study of the (2,2) carbon nanotube[J]. PHYSICAL REVIEW B,2005,71(3):-.
APA	Mao, YL.,Yan, XH.,Xiao, Y.,Xiang, J.,Yang, YR.,...&Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China..(2005).First-principles study of the (2,2) carbon nanotube.PHYSICAL REVIEW B,71(3),-.
MLA	Mao, YL,et al."First-principles study of the (2,2) carbon nanotube".PHYSICAL REVIEW B 71.3(2005):-.