• 文献标题:   Electronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe
  • 文献类型:   Article
  • 作  者:   YAO XJ, ZHANG XY
  • 作者关键词:  
  • 出版物名称:   ACS OMEGA
  • ISSN:   2470-1343
  • 通讯作者地址:  
  • 被引频次:   3
  • DOI:   10.1021/acsomega.1c01562 EA MAY 2021
  • 出版年:   2021

▎ 摘  要

Building vertical van der Waals heterojunctions between two-dimensional layered materials has become a promising strategy for modulating the properties of two-dimensional materials. Herein, we investigate the electronic structures of non-twisted/twisted bilayer InSe/InSe and heterobilayer graphene/ InSe (Gr/InSe) by employing density functional theory calculations. For twisted bilayer InSe/InSes, their interlayer distances and band gaps are almost identical but a bit larger than those of the AB-stacking one due to the spontaneous polarization. Differently, the band gaps of twisted Gr/InSe are found to vary with the rotation angles. Our results provide an effective way to tune the electronic properties of two-dimensional materials.