中国物理B ›› 2012, Vol. 21 ›› Issue (6): 67301-067301.doi: 10.1088/1674-1056/21/6/067301

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

A comparative investigation of an AB- and AA-stacked bilayer graphene sheet under an applied electric field: A density functional theory study

汪涛a, 郭清a, 刘艳b, 盛况a   

  1. a. College of Electrical Engineering, Zhejiang University, Hangzhou 310027, China;
    b. Second Affiliated Hospital, Zhejiang University College of Medicine, Zhejiang University, Hangzhou 310007, China
  • 收稿日期:2011-10-02 修回日期:2012-01-06 出版日期:2012-05-01 发布日期:2012-05-01
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 61176101), the “Zijing Program Foundation” of Zhejiang University, and the Natural Science Foundation of Zhejiang Province for Oversea Returners.

A comparative investigation of an AB- and AA-stacked bilayer graphene sheet under an applied electric field: A density functional theory study

Wang Tao(汪涛)a), Guo Qing(郭清)a), Liu Yan(刘艳)b)†, and Sheng Kuang(盛况) a)‡ger   

  1. a. College of Electrical Engineering, Zhejiang University, Hangzhou 310027, China;
    b. Second Affiliated Hospital, Zhejiang University College of Medicine, Zhejiang University, Hangzhou 310007, China
  • Received:2011-10-02 Revised:2012-01-06 Online:2012-05-01 Published:2012-05-01
  • Contact: Liu Yan, Sheng Kuang E-mail:liuyan2010@zju.edu.cn; shengk@zju.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 61176101), the “Zijing Program Foundation” of Zhejiang University, and the Natural Science Foundation of Zhejiang Province for Oversea Returners.

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摘要： An AB- and AA-stacked bilayer graphene sheet (BLG) under an electric field is investigated by ab initio calculation. The interlayer distance between the two layers, band structures, and atomic charges of the system are investigated in the presence of different electric fields normal to the BLG. The AB-stacked BLG is able to tune the bandgap into 0.234 eV with the increase of the external electronic field to 1 V/nm, however, the AA-stacked BLG is not sensitive to the external electric field. In both the cases, the spacing between the BLG slightly change in terms of the electric field. The charges in the AB-stacked BLG are increased with the increase of the electric field, which is considered to be the reason that causes the bandgap opening in the AB-stacked BLG.

关键词: graphene, bandgap, density functional theory study

Abstract: An AB- and AA-stacked bilayer graphene sheet (BLG) under an electric field is investigated by ab initio calculation. The interlayer distance between the two layers, band structures, and atomic charges of the system are investigated in the presence of different electric fields normal to the BLG. The AB-stacked BLG is able to tune the bandgap into 0.234 eV with the increase of the external electronic field to 1 V/nm, however, the AA-stacked BLG is not sensitive to the external electric field. In both the cases, the spacing between the BLG slightly change in terms of the electric field. The charges in the AB-stacked BLG are increased with the increase of the electric field, which is considered to be the reason that causes the bandgap opening in the AB-stacked BLG.

Key words: graphene, bandgap, density functional theory study

中图分类号:  (Electron states at surfaces and interfaces)

  • 73.20.-r
68.35.bg (Semiconductors) 68.35.bg (Semiconductors) 85.30.De (Semiconductor-device characterization, design, and modeling)