Modulated electronic and optical properties of bilayer/trilayer Blue Phosphorene/MoX2(X=S, Se) van der Waals heterostructures

2021 ◽  
pp. 101228
Author(s):  
Junnan Han ◽  
Fei Yang ◽  
Ling Xu ◽  
Zhenguo Zhuo ◽  
Xincheng Cao ◽  
...  
Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3338
Author(s):  
Jiali Wang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Junfeng Ren ◽  
Xiaobo Yuan

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.


Vacuum ◽  
2020 ◽  
Vol 174 ◽  
pp. 109232 ◽  
Author(s):  
Xinfeng Chen ◽  
Haohao Sheng ◽  
Jianli Wang ◽  
Gang Tang ◽  
Junting Zhang ◽  
...  

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