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.
引用
收藏
页码：1597 / 1601
页数：5
相关论文
共 50 条
  • [1] First-principles calculations of electronic structure and optical properties of Boron-doped ZnO with intrinsic defects
    Peng, Yen-Chun
    Chen, Chieh-Cheng
    Wu, Hsuan-Chung
    Lu, Jong-Hong
    [J]. OPTICAL MATERIALS, 2015, 39 : 34 - 39
  • [2] Effect of Intrinsic Defects on Electronic and Magnetic Properties in Tm-Doped GaN: First-Principles Calculations
    Li, Y. R.
    Su, H. L.
    Hou, Z. T.
    Liu, H. Y.
    Liu, C. C.
    Li, Y.
    [J]. JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2018, 31 (12) : 3911 - 3917
  • [3] Effect of Intrinsic Defects on Electronic and Magnetic Properties in Tm-Doped GaN: First-Principles Calculations
    Y. R. Li
    H. L. Su
    Z. T. Hou
    H. Y. Liu
    C. C. Liu
    Y. Li
    [J]. Journal of Superconductivity and Novel Magnetism, 2018, 31 : 3911 - 3917
  • [4] First-principles study on the electronic structure of LiCoO2 with intrinsic defects
    Hu, Wei
    Chen, Yongzhong
    Kou, Haiqun
    Wang, Yuxiu
    Wan, Haiqing
    Li, Huili
    [J]. IONICS, 2022, 28 (07) : 3139 - 3143
  • [5] First-principles study on the electronic structure of LiCoO2 with intrinsic defects
    Wei Hu
    Yongzhong Chen
    Haiqun kou
    Yuxiu Wang
    Haiqing Wan
    Huili Li
    [J]. Ionics, 2022, 28 : 3139 - 3143
  • [6] First-principles calculations on electronic structure of PbTe
    Dow, H. S.
    Oh, M. W.
    Kim, B. S.
    Park, S. D.
    Lee, H. W.
    Wee, D. M.
    [J]. PROCEEDINGS ICT 07: TWENTY-SIXTH INTERNATIONAL CONFERENCE ON THERMOELECTRICS, 2008, : 90 - 93
  • [7] First-principles calculations on the electronic structure of FeS
    Koutti, L
    Bengone, O
    Hugel, J
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2000, 17 (2-4) : 169 - 173
  • [8] Electronic structure and optical characteristics of AA stacked bilayer graphene: A first principles calculations
    Laref, A.
    Alsagri, M.
    Alay-e-Abbas, Syed Muhammad
    Laref, S.
    Huang, H. M.
    Xiong, Y. C.
    Yang, J. T.
    Khandy, Shakeel Ahmad
    Rai, Dibya Prakash
    Varshney, Dinesh
    Wu, Xiaozhi
    [J]. OPTIK, 2020, 206
  • [9] Intrinsic defects and electronic conductivity of TaON: First-principles insights
    Chen, Shiyou
    Wang, Lin-Wang
    [J]. APPLIED PHYSICS LETTERS, 2011, 99 (22)
  • [10] Band engineering of bilayer graphene by metal atoms: First-principles calculations
    Oh, D-H.
    Shin, B. G.
    Ahn, J. R.
    [J]. APPLIED PHYSICS LETTERS, 2010, 96 (23)
12345