物理化学学报 >> 2008, Vol. 24 >> Issue (02): 328-332.doi: 10.3866/PKU.WHXB20080225

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Armchair型石墨纳米带的电子结构和输运性质

欧阳方平; 徐慧; 李明君; 肖金   

  1. 中南大学物理科学与技术学院, 长沙 410083
  • 收稿日期:2007-08-08 修回日期:2007-09-21 发布日期:2008-01-26
  • 通讯作者: 欧阳方平 E-mail:oyfp04@mails.tsinghua.edu.cn

Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons

OUYANG Fang-Ping; XU Hui; LI Ming-Jun; XIAO Jin   

  1. School of Physics Science and Technology, Central South University, Changsha 410083, P. R. China
  • Received:2007-08-08 Revised:2007-09-21 Published:2008-01-26
  • Contact: OUYANG Fang-Ping E-mail:oyfp04@mails.tsinghua.edu.cn

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摘要： 利用第一性原理的电子结构和输运性质计算方法, 研究了扶手椅(armchair)型单层石墨纳米带(具有锯齿边缘)的电子结构和输运性质及其边缘空位缺陷效应. 研究发现, 完整边缘的扶手椅型石墨纳米带是典型的金属性纳米带, 边缘空位缺陷的存在对扶手椅型纳米带能带结构有一定的影响,但并不彻底改变其金属性特征.

关键词: 石墨纳米带, 空位缺陷, 电子结构, 输运性质

Abstract: Using first-principles electronic structure and transport calculations the electronic structure and transport properties of single layer armchair graphene nanoribbons with zigzag edges and the effect of edge-vacancy defects were investigated. It was shown that perfect armchair graphene nanoribbons were metallic ribbons. Though the electronic band structure may be affected by the edge-vacancy defects, they remain the metallic characteristic.

Key words: Graphene nanoribbons, Vacancy defects, Electronic structure, Transport property