Electronic properties and interfacial contact of graphene/CrSiTe 3 van der Waals heterostructures

• Published in: Physical chemistry chemical physics : PCCP Vol. 24; no. 7; pp. 4280 - 4286
• Main Authors: Chen, Li, Jiang, Chuan, Yang, Maoyou, Wang, Dongchao, Shi, Changmin, Liu, Hongmei, Cui, Guangliang, Li, Xiaolong, Shi, Jiakuo
• Format: Journal Article
• Language: English
• Published: England 16.02.2022
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/D1CP04109F

The electronic properties and interfacial contact of the graphene-based heterostructure graphene/CrSiTe (Gr/CrSiTe ) 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/CrSiTe when the interfacial distance is reduced to a distance of 2.75 Å. Gr/CrSiTe 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 Å 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.