| Armchair型石墨纳米带的电子结构和输运性质 |
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| 引用本文： | 欧阳方平,徐慧,李明君,肖金.Armchair型石墨纳米带的电子结构和输运性质[J].物理化学学报,2008,24(2):328-332. |
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| 作者姓名： | 欧阳方平 徐慧 李明君 肖金 |
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| 作者单位： | School of Physics Science and Technology, Central South University, Changsha 410083, P. R. China |
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| 基金项目： | 国家自然科学基金
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湖南省自然科学基金
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中南大学理科发展基金 |
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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.
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| 关 键 词： | 石墨纳米带 空位缺陷 电子结构 输运性质 |
| 收稿时间： | 2007-08-08 |
| 修稿时间： | 2007-09-21 |
Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons |
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| OUYANG Fang-Ping,XU Hui,LI Ming-Jun,XIAO Jin.Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons[J].Acta Physico-Chimica Sinica,2008,24(2):328-332. |
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| Authors: | OUYANG Fang-Ping XU Hui LI Ming-Jun XIAO Jin |
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| Institution: | School of Physics Science and Technology, Central South University, Changsha 410083, P. R. China |
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| 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. |
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| Keywords: | Graphene nanoribbons Vacancy defects Electronic structure Transport property |
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