First-principles study of single-walled armchair Cx(BN)y nanotubes

被引：21

作者：

Guo, CS

Fan, WJ

Chen, ZH

Zhang, RQ

机构：

[1] City Univ Hong Kong, Ctr Super Diamond & Adv Films, COSDAF, Kowloon, Hong Kong, Peoples R China

[2] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2006年 / 137卷 / 10期

关键词：

C-x(BN)(y); nanotube; band structure; strain energy; first-principles calculation;

D O I：

10.1016/j.ssc.2006.01.012

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural and electronic properties of the armchair C-x(BN)(y) nanotubes are Studied using the density functional theory with a generalized gradient approximation. The results show that the properties of the C-x(BN)(y) nanotubes are intermediate between those of carbon nanotubes and BN nanotubes, and also adjustable by their radius, ratio of carbon component, and configurations. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：549 / 552

页数：4

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