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

J. Cai; R. F. Bie; X. M. Tan; C. Lu

doi:10.1016/j.physb.2003.10.003

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

J. Cai^*
, R. F. Bie
, X. M. Tan
, C. Lu

^*此作品的通讯作者

National University of Singapore
Agency for Science, Technology and Research, Singapore
Natl. Univ. of Materials Science
Beijing Normal University

科研成果: 期刊稿件 › 文章 › 同行评审

40 引用（Scopus）

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. B54 (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 0.95TPa, the bulk modulus of C60 is 0.86TPa. 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.

源语言	英语
页（从-至）	99-102
页数	4
期刊	Physica B: Condensed Matter
卷	344
期	1-4
DOI	https://doi.org/10.1016/j.physb.2003.10.003
出版状态	已出版 - 15 2月 2004
已对外发布	是

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title = "Application of the tight-binding method to the elastic modulus of C60 and carbon nanotube",

abstract = "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. B54 (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 0.95TPa, the bulk modulus of C60 is 0.86TPa. 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.",

keywords = "C60, Carbon nanotube, Elastic modulus, Tight-binding method",

author = "J. Cai and Bie, \{R. F.\} and Tan, \{X. M.\} and C. Lu",

year = "2004",

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doi = "10.1016/j.physb.2003.10.003",

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TY - JOUR

T1 - Application of the tight-binding method to the elastic modulus of C60 and carbon nanotube

AU - Cai, J.

AU - Bie, R. F.

AU - Tan, X. M.

AU - Lu, C.

PY - 2004/2/15

Y1 - 2004/2/15

N2 - 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. B54 (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 0.95TPa, the bulk modulus of C60 is 0.86TPa. 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.

AB - 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. B54 (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 0.95TPa, the bulk modulus of C60 is 0.86TPa. 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.

KW - C60

KW - Carbon nanotube

KW - Elastic modulus

KW - Tight-binding method

UR - https://www.scopus.com/pages/publications/0742268375

U2 - 10.1016/j.physb.2003.10.003

DO - 10.1016/j.physb.2003.10.003

M3 - 文章

AN - SCOPUS:0742268375

SN - 0921-4526

VL - 344

SP - 99

EP - 102

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

IS - 1-4

ER -

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

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