Electronic properties of bromine-doped carbon nanotubes

被引：41

作者：

Jhi, SH ^{[1
]}

Louie, SG ^{[1
]}

Cohen, ML ^{[1
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Dept Phys, Berkeley, CA 94720 USA

来源：

SOLID STATE COMMUNICATIONS | 2002年 / 123卷 / 11期

基金：

美国国家科学基金会;

关键词：

nanotube; bromine adsorption; electronic band structure; vibrational frequency;

D O I：

10.1016/S0038-1098(02)00392-7

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Intercalation of bromine molecules (Br-2) into single-wall carbon nanotube (SWNT) ropes is studied using the ab initio pseudopotential density functional method. Electronic and vibrational properties of the SWNT and Br-2 are studied for various bromine concentrations. A drastic change in the charge transfer, bromine stretching-mode, and bromine bond-length is observed when the bromine-bromine distance decreases. Calculated electronic structures show that, at high bromine concentrations, the bromine ppsigma* level broadens due to the interbromine interaction. These states overlap with the electronic bands of the SWNT near the Fermi level which results in a substantial charge transfer from carbon to bromine. (C) 2002 Elsevier Science Ltd. All rights reserved.

引用

页码：495 / 499

页数：5

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