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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
发表期刊CHINESE PHYSICS B
关键词Manipulation Films
摘要We 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
卷号17期号:5页码:1881-1886
学科领域Physics
收录类别SCI
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被引频次:12[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/311006/5546
专题理论物理所科研产出_SCI论文
通讯作者Zhang, Y , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
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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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