The effects of oxygen substitution on electronic structure of single-walled carbon nanotubes

被引：10
|
作者：
Zhang, G [1 ]
Duan, WH
Zhou, G
Gu, BL
机构：
[1] Tsing Hua Univ, Dept Phys, Beijing 100084, Peoples R China
[2] Tsing Hua Univ, Ctr Adv Study, Beijing 100084, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2002年 / 122卷 / 3-4期
基金：
中国国家自然科学基金;
关键词：
nanostructures; electronic states;
D O I：
10.1016/S0038-1098(02)00119-9
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
By use of the first-principles calculations, we investigate the characteristics of single-walled carbon nanotubes in which one carbon atom is substituted by one oxygen atom. We find that substitution of oxygen does not obviously alter the binding energy, and the global structure of the tube remains unchanged. Localized resonant states appear in the substitutional location, which may significantly affect the electronic and related properties of nanotubes, such as the conductance and electron emission properties. Our conclusions are consistent with previous experimental results. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：121 / 124
页数：4
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