Electronic properties and interfacial contact of graphene/CrSiTe3 van der Waals heterostructures

Li Chen; Chuan Jiang; Maoyou Yang; Dongchao Wang; Changmin Shi; Hongmei Liu; Guangliang Cui; Xiaolong Li; Jiakuo Shi

doi:10.1039/d1cp04109f

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Phys Chem Chem Phys. 2022 Feb 16;24(7):4280-4286. doi: 10.1039/d1cp04109f.

Authors

Li Chen^{1

2}, Chuan Jiang³, Maoyou Yang¹, Dongchao Wang², Changmin Shi², Hongmei Liu², Guangliang Cui², Xiaolong Li², Jiakuo Shi¹

Affiliations

¹ International School of Photoelectronic Engineering, Qilu University of Technology, Jinan, 250353, China. chenli@lyu.edu.cn.
² Institute of Condensed Matter Physics, Linyi University, Shandong 276000, China.
³ Tech Center, CRRC Qingdao Sifang Rolling Stock Research Institute Co., Ltd, Shanghai 200333, China.

PMID: 35107454
DOI: 10.1039/d1cp04109f

Abstract

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 Å. 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 Å^-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.