• 文献标题:   Configuration-Induced Rich Electronic Properties of Bilayer Graphene
  • 文献类型:   Article
  • 作  者:   TRAN NTT, LIN SY, GLUKHOVA OE, LIN MF
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Natl Cheng Kung Univ
  • 被引频次:   5
  • DOI:   10.1021/jp511692e
  • 出版年:   2015

▎ 摘  要

The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using first-principle calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA -> AB -> AA' -> AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.