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Mao, YL; Yan, XH; Xiao, Y; Xiang, J; Yang, YR; Yu, HL; Mao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
First-principles study of the (2,2) carbon nanotube
Source PublicationPHYSICAL REVIEW B
KeywordCarbon Nanotube Materials Science Energetics Tubules
AbstractUsing 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.
2005
ISSN1098-0121
Volume71Issue:3Pages:-
Subject AreaPhysics
Indexed BySCI
Citation statistics
Cited Times:39[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/13917
Collection理论物理所科研产出_SCI论文
Corresponding AuthorMao, YL , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.
Recommended Citation
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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