Electronic structure of carbon nanotubes modified by alkali metal atoms

被引：11
|
作者：
Zaporotskova, IV [1 ]
Lebedev, NG
Chernozatonskii, LA
机构：
[1] Volgograd State Univ, Volgograd 400062, Russia
[2] Russian Acad Sci, Inst Biochem Phys, Moscow 117334, Russia
来源：
PHYSICS OF THE SOLID STATE | 2004年 / 46卷 / 06期
基金：
俄罗斯基础研究基金会;
关键词：
D O I：
10.1134/1.1767263
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The electronic structure and parameters of the energy band structure of (n, 0)-type nanotubes modified by alkali metal atoms (Li, Na) and intercalated by potassium atoms are studied. The quantum-chemical semiempirical MNDO method and a model of the covalent cyclic cluster built in via ionic bonding are used to model infinitely long nanotubes. The electronic density of states of modified nanotubes is found. It is shown that semiconductor-metal transitions can occur in semiconductor nanotubes and that semimetal nanotubes can undergo metal-metal transitions. (C) 2004 MAIK "Nauka/Interperiodica".
引用
收藏
页码：1173 / 1178
页数：6
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