A study of the size-dependent elastic properties of silicon carbide nanotubes: First-principles calculations

被引：10

作者：

Zhang, Anghui ^{[1
]}

Gu, Xiao ^{[2
]}

Liu, Feng ^{[1
]}

Xie, Yiqun ^{[1
]}

Ye, Xiang ^{[1
]}

Shi, Wangzhou ^{[1
]}

机构：

[1] Shanghai Normal Univ, Dept Phys, Shanghai 200234, Peoples R China

[2] Fudan Univ, Lab Computat Phys Sci MOE, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China

来源：

PHYSICS LETTERS A | 2012年 / 376卷 / 19期

基金：

中国国家自然科学基金;

关键词：

SIC NANOTUBES; FABRICATION;

D O I：

10.1016/j.physleta.2012.03.035

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The size dependence of elastic properties in single-walled silicon carbide nanotubes are investigated by first-principles calculations. We found the Young's modulus of the nanotubes increases with increasing diameter and is inversely proportional to Si-C bond length, whereas the Poisson ratio shows an opposite trend. For small tubes the elastic properties change dramatically with the tube size. While for the tubes with the diameter larger than 8 angstrom, the difference of these properties is small and almost independent of the size and symmetry. The strength of bonding between Si and C atoms is elucidated by the amount of the charge transfer calculated by the Bader analysis. (c) 2012 Elsevier B.V. All rights reserved.

引用

页码：1631 / 1635

页数：5

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