• 文献标题:   3D-Graphene/Boron Nitride-stacking Material: a Fundamental van der Waals Heterostructure
  • 文献类型:   Article
  • 作  者:   FU P, JIA R, WANG J, EGLITIS RI, ZHANG HX
  • 作者关键词:   van der waals heterostructure, graphene, hbn, density functional theory, electronic property
  • 出版物名称:   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
  • ISSN:   1005-9040 EI 2210-3171
  • 通讯作者地址:   Jilin Univ
  • 被引频次:   1
  • DOI:   10.1007/s40242-018-8075-4
  • 出版年:   2018

▎ 摘  要

The 3D periodic graphene/h-BN(G/BN) heterostuctures were studied. The stacking forms between the graphene and h-BN layers were discussed. The varieties of the geometric and electronic configurations at the interface between graphene and h-BN layers were also reported. The metal-semiconductor transform of the G/BN material can be achieved by adjusting the stacking form of the h-BN layers or changing the proportion of graphene layers in the unit cell. An electrostatic potential well was found at the interface. Due to the potential well and the only dispersion correlation at the interface, the dielectric constant epsilon(zz) in vertical direction was independent on the variety of the thickness or the proportion of the compositions in an unit cell.