• 文献标题:   Controllable Schottky barriers and contact types of BN intercalation layers in graphene/MoSi2As4 vdW heterostructures via applying an external electrical field
  • 文献类型:   Article
  • 作  者:   GUO Y, DONG YJ, CAI XL, LIU LL, JIA Y
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.1039/d2cp02011d EA JUL 2022
  • 出版年:   2022

▎ 摘  要

Graphene-based van der Waals (vdW) heterostructures have opened unprecedented opportunities for various device applications due to their rich functionalities and novel physical properties. Motivated by the successful synthesis of a MoSi2N4 monolayer (Science, 2020, 369, 670), in this work by means of first-principles calculations we construct and investigate the interfacial electronic properties of the graphene/MoSi2As4 vdW heterostructure, which is expected to be energetically favorable and stable. Our results show that the graphene/MoSi2As4 heterostructure forms an n-type Schottky contact with a low barrier of 0.12 eV, which is sensitive to the external electric field and the transformation from an n-type Schottky contact to a p-type one can be achieved at 0.2 V angstrom(-1). The small effective masses and strong optical absorption intensity indicate that the graphene/MoSi2As4 heterostructure will have a high carrier mobility and can be applied to high-speed FET. Importantly, we also show that the opening band gap can be achieved in the graphene/BN/MoSi2As4 heterostructure and the type-I band alignment can transform into type-II under an external electric field of -0.2 V angstrom(-1). These findings demonstrate that the graphene/MoSi2As4 heterostructure can be considered as a promising candidate for high-efficiency Schottky nanodevices.