Morphologies and related electronic properties of carbon nanotubes

被引:7
作者
Charlier, JC [1 ]
机构
[1] Univ Catholique Louvain, Unite Physicochim & Phys Mat, B-1348 Louvain, Belgium
关键词
D O I
10.1557/JMR.1998.0330
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The electronic structures of different morphologies of carbon nanotubes are investigated within either tight-binding or ab initio frameworks. After a brief description of the electronic properties of the "perfect" rolled-up graphene sheet, nanotubes containing pentagon-heptagon pairs, tips (hemispherical caps), sp(3)-like lines responsible for polygonization, multishell and solid-state packings (bundles) are studied in order to point out the influence of such defects on the electronic states of the "perfect" cylinders. Most of the time, a structural optimization was performed on the atomic topology, prior to the calculation of the electronic properties. Connections with experimental facts are indicated as frequently as possible.
引用
收藏
页码:2368 / 2379
页数:12
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