Application of the tight-binding method to the elastic modulus of C60 and carbon nanotube

被引：37

作者：

Cai, J ^{[1
]}

Bie, RF

Tan, XM

Lu, C

机构：

[1] Natl Univ Mat Sci, Dept Mat Sci, Singapore 119260, Singapore

[2] Beijing Normal Univ, Coll Informat Sci, Beijing 100875, Peoples R China

[3] Inst High Performance Comp, Singapore 117528, Singapore

来源：

PHYSICA B-CONDENSED MATTER | 2004年 / 344卷 / 1-4期

基金：

中国国家自然科学基金;

关键词：

tight-binding method; carbon nanotube; C60; elastic modulus;

D O I：

10.1016/j.physb.2003.10.003

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The bulk modulus of C60, Young's modulus of carbon nanotube, and the corresponding bond length are calculated by the tight binding method (M.J. Mehl and D.A. Papaconstantopoulos, Phys. Rev. B 54 (1996) 4519). The calculated bond lengths of C60 and the nanotube are in good agreement with experiments or first principle calculations. The calculated Young's modulus of the nanotube is found to be equal to 0.95 TPa, the bulk modulus of C60 is 0.86 TPa. These results also fall within the range of experimental data. In addition, the bulk modulus formula of C60 and Young's modulus of nanotubes are discussed further. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：99 / 102

页数：4

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