BAND STRUCTURES OF NEUTRAL AND DOPED (C-60)X POLYMERS

被引：33

作者：

SURJAN, PR ^{[1
]}

NEMETH, K ^{[1
]}

机构：

[1] TECH UNIV BUDAPEST, QUANTUM THEORY GRP, BUDAPEST, HUNGARY

来源：

SOLID STATE COMMUNICATIONS | 1994年 / 92卷 / 05期

基金：

匈牙利科学研究基金会;

关键词：

A FULLERENES; A POLYMERS;

D O I：

10.1016/0038-1098(94)90518-5

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A simple topological model Hamiltonian is used to compute the epsilon(kappa) band structure and the density of states for the novel (C-60)(x) polymer found recently by Pekker and al. The calculations have been done both for neutral and negatively charged unit cells. The predicted bond lengths are in close agreement with recent X-ray data. The computed energy gap for the neutral polymer is around 0.3 eV, while for the doped system a small gap of 0.13 eV due to CDW was obtained.

引用

页码：407 / 411

页数：5

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