Theoretical study on intermolecular coupling in a one-dimensional C60 polymer

被引：11
|
作者：
Huang, YH [1 ]
Chen, GJ [1 ]
Liu, RZ [1 ]
机构：
[1] Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1998年 / 59卷 / 09期
基金：
中国国家自然科学基金;
关键词：
fullerenes; phonons; phase transitions;
D O I：
10.1016/S0022-3697(98)00245-5
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The band structures of one-dimensional C-60 polymers are calculated using the self-consistent field crystal orbital method. Based on the calculated band structures, the intermolecular electron-phonon coupling in one-dimensional C-60 polymers is estimated by means of the mean-held approximation and the deformation potential theory. It is found that the intermolecular coupling is weak, being the same order of magnitude as those estimated in the alkali-metal doped three-dimensional C-60 crystals. The influence of the coupling on the superconductivity and Peierl's phase transition is also discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：1365 / 1368
页数：4
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