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题名: Structural and electronic properties of carbon nanotubes under hydrostatic pressures
作者: Zhang Ying ;  Cao Jue-Xian ;  Yang Wei
刊名: CHINESE PHYSICS B
出版日期: 2008
卷号: 17, 期号:5, 页码:1881-1886
关键词: MANIPULATION ;  FILMS
学科分类: Physics
通讯作者: Zhang, Y , Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
部门归属: [Zhang, Y; Cao, JX] Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China; [Zhang, Y; Cao, JX] Xiangtan Univ, Minist Educ, Key Lab Low Dimensional Mat & Applicat Technol, Xiangtan 411105, Peoples R China; [Cao, JX] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA; [Cao, JX] Chinese Acad Sci, Interdisciplinary Ctr Theoret Studies, Beijing 100080, Peoples R China; [Cao, JX] Chinese Acad Sci, Inst Theoret Phys, Beijing 100080, Peoples R China; [Yang, W] Beijing Univ Technol, Quantum Mat Lab, Beijing 100022, Peoples R China
英文摘要: 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.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000256148400056
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5546
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:
Zhang Ying,Cao Jue-Xian,Yang Wei. Structural and electronic properties of carbon nanotubes under hydrostatic pressures[J]. CHINESE PHYSICS B,2008,17(5):1881-1886.
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