Helicity energy of a straight single-wall carbon nanotube

被引：18
|
作者：
Zhang, SL [1 ]
Zhao, SM
Lü, JY
Xia, MG
机构：
[1] Xi An Jiao Tong Univ, Dept Appl Phys, Xian 710049, Peoples R China
[2] Chinese Ctr Adv Sci & Technol, World Lab, Beijing 100080, Peoples R China
来源：
PHYSICAL REVIEW B | 2000年 / 61卷 / 19期
关键词：
D O I：
10.1103/PhysRevB.61.12693
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The energy of a straight single-wall carbon nanotube (SWNT) with different helicity is proposed by making continuum limit of the curvature elastic energy of a single-layer curved graphite carbon. We find that the zigzag is the only stable state with the lowest energy for the fixed diameter tubule. Our helicity energy formula agrees well with the energy of the zigzag configuration and armchair configuration SWNT's calculated by quantum molecular dynamics numerical simulation.
引用
收藏
页码：12693 / 12696
页数：4
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