A dislocation model for the pentagon-heptagon pair in zigzag single-walled carbon nanotubes

被引：7
|
作者：
Wang, Shao Feng [1 ]
Zhang, Hui Li
Wu, Xiao Zhi
机构：
[1] Chongqing Univ, Dept Phys, Chongqing 400030, Peoples R China
来源：
EPL | 2010年 / 90卷 / 05期
基金：
中国国家自然科学基金;
关键词：
D O I：
10.1209/0295-5075/90/56004
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The pentagon-heptagon (5/7) pair in a zigzag single-walled carbon nanotube (SWCNT) is described as a dislocation by the modified Peierls-Nabarro (P-N) theory. The theory takes discrete effects, size effects and curvature effects into account. The bonds variation and shape distortion caused by 5/7 pair have been evaluated. It is found that the neck bond (shared bond) becomes longer while the shoulder bonds become shorter comparing with the one of the hexagons. The results show that the zigzag chain across the center of the 5/7 pair will bend slightly in the axis direction towards the heptagon, and the tube will be flattened where the 5/7 pair is located because of the appearance of the internal stress and nonzero curvature. Copyright (C) EPLA, 2010
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页数：5
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