1. Manipulable Electronic and Optical Properties of Two-Dimensional MoSTe/MoGe 2 N 4 van der Waals Heterostructures.
- Author
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Wang, Jiali, Zhao, Xiuwen, Hu, Guichao, Ren, Junfeng, and Yuan, Xiaobo
- Subjects
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OPTICAL properties , *HETEROSTRUCTURES , *BAND gaps , *DENSITY functional theory , *OPTOELECTRONIC devices , *ABSORPTION coefficients - Abstract
van der Waals heterostructures (vdWHs) can exhibit novel physical properties and a wide range of applications compared with monolayer two-dimensional (2D) materials. In this work, we investigate the electronic and optical properties of MoSTe/MoGe2N4 vdWH under two different configurations using the VASP software package based on density functional theory. The results show that Te4-MoSTe/MoGe2N4 vdWH is a semimetal, while S4-MoSTe/MoGe2N4 vdWH is a direct band gap semiconductor. Compared with the two monolayers, the absorption coefficient of MoSTe/MoGe2N4 vdWH increases significantly. In addition, the electronic structure and the absorption coefficient can be manipulated by applying biaxial strains and changing interlayer distances. These studies show that MoSTe/MoGe2N4 vdWH is an excellent candidate for high-performance optoelectronic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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