• 文献标题:   The electronic structure of graphene tuned by hexagonal boron nitrogen layers: Semimetal semiconductor transition
  • 文献类型:   Article
  • 作  者:   LIU MY, CHEN QY, MA T, HE Y, CAO C
  • 作者关键词:   graphene/hbn, stacking geometrie, electronic propertie, tunable band
  • 出版物名称:   MODERN PHYSICS LETTERS B
  • ISSN:   0217-9849 EI 1793-6640
  • 通讯作者地址:   Yunnan Univ
  • 被引频次:   3
  • DOI:   10.1142/S0217984916501918
  • 出版年:   2016

▎ 摘  要

The electronic structure of graphene and hexagonal boron nitrogen (G/h-BN) systems have been carefully investigated using the pseudo-potential plane-wave within density functional theory (DFT) framework. We find that the stacking geometries and interlayer distances significantly affect the electronic structure of G/h-BN systems. By studying four stacking geometries, we conclude that the monolayer G/h-BN systems should possess metallic electronic properties. The monolayer G/h-BN systems can be transited from metallicity to semiconductor by increasing h-BN layers. It reveals that the alteration of interlayer distances 2.50-3.50 angstrom can obtain the metal semiconductor semimetal variation and a tunable band gap for G/h-BN composite systems. The band dispersion along K-H direction is analogous to the band of rhombohedral graphite when the G/h-BN systems are semiconducting.