• 文献标题:   Electronic structure of graphene- and BN-supported phosphorene
  • 文献类型:   Article
  • 作  者:   DAVLETSHIN AR, USTIUZHANINA SV, KISTANOV AA, SAADATMAND D, DMITRIEV SV, ZHOU K, KORZNIKOVA EA
  • 作者关键词:   ab initio calculation, phosphorenegraphene, phosphorenebn, heterostructure, band gap
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Nanyang Technol Univ
  • 被引频次:   12
  • DOI:   10.1016/j.physb.2018.01.039
  • 出版年:   2018

▎ 摘  要

By using first-principles calculations, the effects of graphene and boron nitride (BN) substrates on the electronic properties of phosphorene are studied. Graphene-supported phosphorene is found to be metallic, while the BN-supported phosphorene is a semiconductor with a moderate band gap of 1.02 eV. Furthermore, the effects of the van der Waals interactions between the phosphorene and graphene or BN layers by means of the interlayer distance change are investigated. It is shown that the interlayer distance change leads to significant band gap size modulations and direct-indirect band gap transitions in the phosphorene-BN heterostructure. The presented band gap engineering of phosphorene may be a powerful technique for the fabrication of high-performance phosphorene-based nanodevices.