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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.
2005
发表期刊PHYSICAL REVIEW B
ISSN1098-0121
卷号71期号:3页码:-
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.
部门归属Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China; Xiangtan Univ, Inst Modern Phys, Xiangtan 411105, Peoples R China; Nanjing Univ Aeronaut & Astronaut, Coll Sci, Nanjing 210016, Peoples R China; Chinese Acad Sci, Interdisciplinary Ctr Theoret Studies, Beijing 100080, Peoples R China; Chinese Acad Sci, Inst Theoret Phys, Beijing 100080, Peoples R China
关键词Carbon Nanotube Materials Science Energetics Tubules
学科领域Physics
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收录类别SCI
WOS记录号WOS:000226735900025
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被引频次:38[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/13917
专题理论物理所1978-2010年知识产出
通讯作者Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
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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):-.
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