1. Effects of vacancy and external electric field on the electronic properties of the MoSi2N4/graphene heterostructure.
- Author
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Liang, Qian, Luo, Xiangyan, Qian, Guolin, Wang, Yuanfan, Liang, Yongchao, and Xie, Quan
- Subjects
ELECTRIC fields ,SCHOTTKY barrier diodes ,CHARGE transfer ,HETEROSTRUCTURES - Abstract
Recently, the newly synthesized septuple-atomic layer two-dimensional (2D) material MoSi
2 N4 (MSN) has attracted attention worldwide. Our work delves into the effect of vacancies and external electric fields on the electronic properties of the MSN/graphene (Gr) heterostructure using first-principles calculation. We find that four types of defective structures, N-in, N-out, Si and Mo vacancy defects of monolayer MSN and MSN/Gr heterostructure are stable in air. Moreover, vacancy defects can effectively modulate the charge transfer at the interface of the MSN/Gr heterostructure as well as the work function of the pristine monolayer MSN and MSN/Gr heterostructure. Finally, the application of an external electric field enables the dynamic switching between n-type and p-type Schottky contacts. Our work may offer the possibility of exceeding the capabilities of conventional Schottky diodes based on MSN/Gr heterostructures. [ABSTRACT FROM AUTHOR]- Published
- 2024
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