Effects of heteroatom (boron or nitrogen) substitutional doping on the electronic properties of graphene nanoribbons

被引：16

作者：

Wang, Zhiyong ^{[1
]}

Xiao, Jianrong ^{[1
]}

Li, Xinyu ^{[1
]}

机构：

[1] Guilin Univ Technol, Coll Sci, Guilin 541008, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2012年 / 152卷 / 02期

关键词：

Graphene nanoribbon; Substitutional doping; Electronic properties;

D O I：

10.1016/j.ssc.2011.11.002

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic properties of graphene nanoribbons (GNRs) with heteroatom (boron or nitrogen) substitutional doping at different sites are investigated by performing first-principles calculations based on density functional theory. The calculated results show that boron substitutional doping changes the conducting characteristics of GNRs to half-metallic. In contrast, nitrogen substitutional doping results in retention of the half-metallic characteristics of GNRs. It is predicted that the theoretical results may be valuable to the design of GNR-based spintronics devices. (C) 2011 Elsevier Ltd. All rights reserved.

引用

页码：64 / 67

页数：4

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