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Zhang Ying; Cao Jue-Xian; Yang Wei; Zhang, Y , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
Structural and electronic properties of carbon nanotubes under hydrostatic pressures
Source PublicationCHINESE PHYSICS B
KeywordManipulation Films
AbstractWe studied the structural and electronic proper-ties of carbon nanotubes under hydrostatic pressures based on molecular dynamics simulations and first principles band structure calculations. It is found that carbon nanotubes experience a hard-to-soft transition as external pressure increases. The bulk modulus of soft phase is two orders of magnitude smaller than that of hard phase. The band structure calculations show that band gap of (10, 0) nanotube increases with the increase of pressure at low pressures. Above a critical pressure (5.70GPa), band gap of (10, 0) nanotube drops rapidly and becomes zero at 6.62GPa. Moreover, the calculated charge density shows that a large pressure can induce an sp(2)-to-Sp(3) bonding transition, which is confirmed by recent experiments on deformed carbon nanotubes.
2008
ISSN1674-1056
Volume17Issue:5Pages:1881-1886
Subject AreaPhysics
Indexed BySCI
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Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5546
CollectionSCI期刊论文
Corresponding AuthorZhang, Y , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
Recommended Citation
GB/T 7714
Zhang Ying,Cao Jue-Xian,Yang Wei,et al. Structural and electronic properties of carbon nanotubes under hydrostatic pressures[J]. CHINESE PHYSICS B,2008,17(5):1881-1886.
APA Zhang Ying,Cao Jue-Xian,Yang Wei,&Zhang, Y , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China.(2008).Structural and electronic properties of carbon nanotubes under hydrostatic pressures.CHINESE PHYSICS B,17(5),1881-1886.
MLA Zhang Ying,et al."Structural and electronic properties of carbon nanotubes under hydrostatic pressures".CHINESE PHYSICS B 17.5(2008):1881-1886.
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