Electronic properties of carbon nanotubes containing defects

被引：19
|
作者：
Lambin, P [1 ]
Lucas, AA
Charlier, JC
机构：
[1] Fac Univ Notre Dame Paix, Dept Phys, B-5000 Namur, Belgium
[2] Ecole Polytech Fed Lausanne, IRRMA, INR Ecublens, CH-1015 Lausanne, Switzerland
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1997年 / 58卷 / 11期
关键词：
D O I：
10.1016/S0022-3697(97)00095-4
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The electronic structure of carbon nanotubes containing defects is investigated within a tight-binding framework. The electronic properties of the following defects are examined: (a) a hemispheric cap ending a (10, 10) tubule, (b) a pair of pentagon and heptagon aligned along the same side of the tube, which widens the diameter, (c) a pair of diametrically-opposed heptagon and pentagon, which bends de structure, and (d) sp(3)-like lines responsible for polygonization. In cases (a)-(c), a structural optimization was performed, either by minimization of a valence-force field adapted to the carbon network or by tight-binding molecular dynamics. (C) 1997 Elsevier Science Ltd.
引用
收藏
页码：1833 / 1837
页数：5
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