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

doi:10.1088/1674-1056/21/6/067301

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.

Keywords: graphene bandgap density functional theory study

Received: 02 October 2011
Revised: 06 January 2012
Accepted manuscript online:

PACS:	73.20.-r	(Electron states at surfaces and interfaces)
	68.35.bg	(Semiconductors)
	68.35.bg	(Semiconductors)
	85.30.De	(Semiconductor-device characterization, design, and modeling)

Fund: 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.

Corresponding Authors: Liu Yan, Sheng Kuang
E-mail: liuyan2010@zju.edu.cn; shengk@zju.edu.cn

Cite this article:

Wang Tao(汪涛), Guo Qing(郭清), Liu Yan(刘艳), and Sheng Kuang(盛况) A comparative investigation of an AB- and AA-stacked bilayer graphene sheet under an applied electric field: A density functional theory study 2012 Chin. Phys. B 21 067301

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

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