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(02): 328-332.
doi:
10.3866/PKU.WHXB20080225
Citation: 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(02): 328-332. doi: 10.3866/PKU.WHXB20080225
Citation: 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(02): 328-332. doi: 10.3866/PKU.WHXB20080225
Armchair型石墨纳米带的电子结构和输运性质
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.
English
Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons
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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