• 文献标题:   Electronic properties and interfacial contact of graphene/CrSiTe3 van der Waals heterostructures
  • 文献类型:   Article
  • 作  者:   CHEN L, JIANG C, YANG MY, WANG DC, SHI CM, LIU HM, CUI GL, LI XL, SHI JK
  • 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/d1cp04109f EA JAN 2022
  • 出版年:   2022

▎ 摘  要

The electronic properties and interfacial contact of the graphene-based heterostructure graphene/CrSiTe3 (Gr/CrSiTe3) are modulated by tuning the interfacial distance, along with application of an external electric field. Our first-principles calculations show that the gap is enlarged to 27.6 meV in Gr/CrSiTe3 when the interfacial distance is reduced to a distance of 2.75 angstrom. Gr/CrSiTe3 changes from an n-type to a p-type Schottky contact with a decrease in interfacial space. The most significant effect of applying a positive electric field is the presence of a p-type Schottky contact along with an increase of interfacial charge transfer to graphene, while an electric field in the opposite direction enhances the n-type Schottky contact effectively with a decrease of interfacial charge transfer to graphene. The Schottky contact transforms into an Ohmic contact when a positive electric field of 0.41 eV angstrom(-1) is applied to this interface. The work proposes an approach to manipulate the interfacial properties, which can be very useful for future experimental studies and graphene-based interfaces.