Effect of intrinsic defects on electronic structure of bilayer graphene: First-principles calculations

被引：17
|
作者：
Li, Ting [1 ]
Tang, Xianqiong [1 ]
Liu, Zhi [1 ]
Zhang, Ping [1 ]
机构：
[1] Xiangtan Univ, Coll Civil Engn & Mech, Xiangtan 411105, Hunan, Peoples R China
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2011年 / 43卷 / 09期
基金：
中国国家自然科学基金;
关键词：
D O I：
10.1016/j.physe.2011.05.001
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
We carry out the first-principles calculations to investigate the electronic properties of bilayer graphene. The ultrasoft pseudopotential density functional methods within the local density approximation (LDA) are applied. The band structures and density of states of bilayer graphene are investigated. Intrinsic defects, including Stone-Wales (SW) defect and atom vacancy, are considered, and proper theoretical analysis about its electronic properties is given. Finally, we arrive at the point that Stone-Wales defect can generate a small energy gap in bilayer graphene, and the vacancy defect can bring in a magnetic moment of bilayer graphene. The results may be valuable for the application of bilayer graphene in electronic devices. (C) 2011 Elsevier B.V. All rights reserved.
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页码：1597 / 1601
页数：5
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