scholarly journals Tailoring the electronic and optical properties of SnSe2/InS van der Waals heterostructures by the biaxial strains

2020 ◽  
Vol 384 (35) ◽  
pp. 126909 ◽  
Author(s):  
Zainab Abdulraheem ◽  
Hamad Rahman Jappor
Keyword(s):  
Optical Properties ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Electronic And Optical Properties

scholarly journals Manipulable Electronic and Optical Properties of Two-Dimensional MoSTe/MoGe2N4 van der Waals Heterostructures

Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3338
Author(s):  
Jiali Wang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Junfeng Ren ◽  
Xiaobo Yuan
Keyword(s):  
Optical Properties ◽  
Absorption Coefficient ◽  
High Performance ◽  
Density Functional ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
Electronic And Optical Properties ◽  
Wide Range ◽  
Direct Band

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.

scholarly journals Structural, electronic and optical properties of PtSe2-InSe van der Waals heterostructures

2021 ◽  
Author(s):  
Zang yu
Keyword(s):  
Optical Properties ◽  
Density Functional ◽  
Van Der Waals ◽  
Interlayer Coupling ◽  
Full Potential ◽  
Potential Candidate ◽  
Generalized Gradient ◽  
Van Der Waals Heterostructures ◽  
Electronic And Optical Properties ◽  
Total Energies

We studied the structural, electronic and optical properties of PtSe2/InSe van der Waals heterostructures (vdWh) using first principles calculations based on density functional theory (DFT). The total energies were calculated within the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) for the exchange-correlation potential. It is found that the PtSe2/InSe vdWh band gaps vary tunable via changing the interlayer coupling. The optical constants, including the dielectric function ε(w), the refractive index n(w) and the reflectivity R(w), are calculated for radiation energies up to 50 eV. This vdWh seem to be a potential candidate of optoelectronic devices.

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