• 文献标题:   Band gap engineering in graphene and hexagonal BN antidot lattices: A first principles study
  • 文献类型:   Article
  • 作  者:   ZHANG AH, TEOH HF, DAI ZX, FENG YP, ZHANG C
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   29
  • DOI:   10.1063/1.3536517
  • 出版年:   2011

▎ 摘  要

The effects of antidot lattices on electronic structures of graphene and hexagonal BN (h-BN) are investigated using the first principles method based on density functional theory. For graphene, we find that when the antidot lattice is along the zigzag direction, the band gap opening can be related to the intervalley scattering and does not follow the simple scaling rule previously proposed in the literature for the antidot lattice along the armchair direction. For h-BN, our calculations show that the antidot lattice results in reducing of band gaps. Coupled with doping of carbon atoms, the band gap of a h-BN antidot lattice can be reduced to below 2 eV, which might have implications in light-emitting devices or photoelectrochemistry. (c) 2011 American Institute of Physics. [doi:10.1063/1.3536517]