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题名: First-principles study of the (2,2) carbon nanotube
作者: Mao, YL ;  Yan, XH ;  Xiao, Y ;  Xiang, J ;  Yang, YR ;  Yu, HL
刊名: PHYSICAL REVIEW B
出版日期: 2005
卷号: 71, 期号:3, 页码:-
关键词: CARBON NANOTUBE ;  MATERIALS SCIENCE ;  ENERGETICS ;  TUBULES
学科分类: Physics
通讯作者: Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
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
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.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000226735900025
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/13917
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
Mao, YL,Yan, XH,Xiao, Y,et al. First-principles study of the (2,2) carbon nanotube[J]. PHYSICAL REVIEW B,2005,71(3):-.
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