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题名: The structure relaxation of carbon nanotube
作者: Zhou, X ;  Chen, H ;  Zhou, JJ ;  Ou-Yang, ZC
刊名: PHYSICA B
出版日期: 2001
卷号: 304, 期号:40912, 页码:86-90
关键词: ELECTRONIC-STRUCTURE ;  ELASTIC PROPERTIES ;  TUBULES ;  FULLERENES ;  ENERGY
学科分类: Physics
通讯作者: Zhou, X , Acad Sinica, Inst Theoret Phys, POB 2735, Beijing 100080, Peoples R China.
部门归属: Acad Sinica, Inst Theoret Phys, Beijing 100080, Peoples R China; Tsing Hua Univ, Ctr Adv Study, Beijing 100084, Peoples R China
英文摘要: A simple macroscopic continuum elasticity theory (CET) is used to calculate the structure relaxation of a single-wall carbon nanotube (SWNT), an analytic formula is obtained. We also expand an atomic scale three-parameter empirical model (Lenosky et al., Nature 355 (1992) 333) in order to correctly describe the bond-length change effects. The structure relaxation of SWNT expected by the model is in good agreement with our CET results, and very consistent with the previous calculation from a first principles local density functional approximation. Using the expanded Lenosky model, we calculate the strain energy of a bending tube. The obtained results are in agreement with the previous theoretical expectation. It shows that the model may be a good simple replacement of some more sophisticated methods for determining carbon networks deformations. (C) 2001 Elsevier Science B.V. All rights reserved.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000170591900013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/13674
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:
Zhou, X,Chen, H,Zhou, JJ,et al. The structure relaxation of carbon nanotube[J]. PHYSICA B,2001,304(40912):86-90.
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