Soluble Direct-Band-Gap Semiconductors LiAsS2and NaAsS2: Large Electronic Structure Effects from Weak As⋅⋅⋅S Interactions and Strong Nonlinear Optical Response

2008 ◽  
Vol 120 (41) ◽  
pp. 7946-7950 ◽  
Author(s):  
Tarun K. Bera ◽  
Jung-Hwan Song ◽  
Arthur J. Freeman ◽  
Joon I. Jang ◽  
John B. Ketterson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Direct Band Gap ◽  
Direct Band

scholarly journals Biaxial strain modulated the electronic structure of hydrogenated 2D tetragonal silicene

RSC Advances ◽  
2019 ◽  
Vol 9 (72) ◽  
pp. 42245-42251
Author(s):  
Haoran Tu ◽  
Jing Zhang ◽  
Zexuan Guo ◽  
Chunyan Xu
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Biaxial Strain ◽  
Direct Band Gap ◽  
Direct Band ◽  
Indirect Band Gap

Hydrogenation can open the band gap of 2D tetragonal silicene, α-SiH is semiconductors with a direct band gap of 2.436 eV whereas β-SiH is indirect band gap of 2.286 eV. The band gap of α-SiH, β-SiH and γ-SiH can be modulated via biaxial strain.

Strain-tunable electronic structure of two-dimensional monolayer SiP

2021 ◽  
pp. 2150404
Author(s):  
Xiao Han ◽  
Fan-Shun Meng ◽  
Xiao-Jie Yan ◽  
Hui Zhang
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Honeycomb Lattice ◽  
Application Range ◽  
Direct Band Gap ◽  
Direct Band ◽  
Indirect Band Gap ◽  
Armchair Direction

The 2D monolayer [Formula: see text]-SiP has a honeycomb lattice and an intrinsic indirect band gap. Herein, the density functional theory calculations are performed to modulate the electronic structure of 2D monolayer [Formula: see text]-SiP by applying strains. The band gap of monolayer [Formula: see text]-SiP is monotonously reduced by the strains. More interestingly, a direct band gap is more likely to be achieved by applying strains along the armchair direction than along the zigzag direction. Finally, 2D monolayer [Formula: see text]-SiP can possess a tunable direct band gap of 1.57–0.73 eV (HSE06) and considerable visible light absorption index, by applying compression strains of −6–−10% along the armchair direction. The work provides a route of modulating the electronic and optical properties of monolayer [Formula: see text]-SiP, which extends its application range for various fields such as electronic devices and solar energy conversion.

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