Knowledge Management System of Institute of Theoretical Physics, CAS
| 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 Publication | CHINESE PHYSICS B
 |
| Keyword | Manipulation Films |
| Abstract | 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 | |
| ISSN | 1674-1056 |
| Volume | 17Issue:5Pages:1881-1886 |
| Subject Area | Physics |
| Indexed By | SCI |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.itp.ac.cn/handle/311006/5546 |
| Collection | SCI期刊论文 |
| Corresponding Author | Zhang, 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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