Tunable band gap of graphyne-based homo- and hetero-structures by stacking sequences, strain and electric field

2018 ◽  
Vol 20 (42) ◽  
pp. 26934-26946 ◽  
Author(s):  
Jiangni Yun ◽  
Yanni Zhang ◽  
Yanbing Ren ◽  
Manzhang Xu ◽  
Junfeng Yan ◽  
...  
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Structures ◽  
Vertical Electric Field ◽  
Tunable Band Gap ◽  
External Strain

Stacking sequences, external strain and a vertical electric field can be used to effectively modulate the electronic structures of graphyne-based homo- and hetero-structures.

Tunable electronic properties of GaS-SnS2 heterostructure by strain and electric field

2021 ◽  
Author(s):  
Dahua Ren ◽  
Qiang Li ◽  
Kai Qian ◽  
Xingyi Tan
Keyword(s):  
Optical Properties ◽  
Electric Field ◽  
Visible Light ◽  
Electronic Properties ◽  
Electronic Structures ◽  
Density Functional ◽  
Band Alignment ◽  
Promising Candidate ◽  
Functional Theory ◽  
External Strain

Abstract Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties. In this work, we have studied the structural, electronic and optical properties of vertically stacked GaS-SnS2 heterostructure under the frame of density functional theory. We find that the stacked GaS-SnS2 heterostructure is a semiconductor with suitable indirect band gaps of 1.82 eV, exhibiting a type-II band alignment for easily separating the photo-generated carriers. The electronic properties of GaS-SnS2 heterostructure can be effectively tuned by external strain and electric field. The optical absorption of GaS-SnS2 heterostructure is more enhanced by comparison with the GaS monolayer and SnS2 monolayer in the visible light. Our results suggest that GaS-SnS2 heterostructure is a promising candidate for the photocatalyst and photoelectronic devices in visible light.

Tunable band gap and magnetism of the two-dimensional nickel hydroxide

RSC Advances ◽  
2015 ◽  
Vol 5 (94) ◽  
pp. 77154-77158 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Wei-Wei Liu ◽  
Deng-Yu Zhang ◽  
Woon-Ming Lau ◽  
Li-Min Liu
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
Nickel Hydroxide ◽  
First Principles ◽  
Electronic Structures ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Tunable Band Gap

The electronic structures and magnetic properties of two dimensional (2D) hexagonal Ni(OH)2 are explored based on first-principles calculations.

scholarly journals Electric field tunable band-gap crossover in black(blue) phosphorus/g-ZnO van der Waals heterostructures

RSC Advances ◽  
2017 ◽  
Vol 7 (55) ◽  
pp. 34584-34590 ◽  
Author(s):  
Wei Zhang ◽  
Lifa Zhang
Keyword(s):  
Zinc Oxide ◽  
Optical Properties ◽  
Electric Field ◽  
Band Gap ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Hybrid Density Functional ◽  
Tunable Band Gap

Using hybrid density functional calculations, we studied the electronic and optical properties of graphitic zinc oxide (g-ZnO) and phosphorene van der Waals (vdW) heterostructures.

Electronic structure modification in two-dimensional pentagonal PdS2 by external strain

2021 ◽  
Author(s):  
Mridu Sharma ◽  
Ranber Singh
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Valence Band ◽  
Electronic Structures ◽  
Two Dimensional ◽  
Structure Modification ◽  
Indirect Band Gap ◽  
D Orbitals ◽  
External Strain

We investigated the electronic structure modifications in two-dimensional (2D) pentagonal PdS<sub>2</sub> materials by external strains. In the absence of external strain the 2D pentagonal PdS<sub>2</sub> materials are indirect band gap semiconductors. The band gap decreases with an increase in the number of stacking PdS<sub>2</sub> monolayers. The external uniaxial and biaxial strains significantly modify the contributions of p-orbitals of S atoms and d-orbitals of Pd atoms to the conduction and valence band edges. It consequently modify the electronic structures of 2D pentagonal PdS<sub>2</sub> materials. This strain tunability of electronic structures of 2D pentagonal PdS<sub>2</sub> materials may be useful for their electro-mechanical applications.

Novel electronic and optical properties of ultrathin silicene/arsenene heterostructures and electric field effects

2017 ◽  
Vol 19 (16) ◽  
pp. 10644-10650 ◽  
Author(s):  
Huabing Shu ◽  
Yilong Tong ◽  
Jiyuan Guo
Keyword(s):  
Optical Properties ◽  
Optical Absorption ◽  
Electric Field ◽  
Band Gap ◽  
Absorption Spectra ◽  
Optical Absorption Spectra ◽  
Electric Field Effects ◽  
Electronic And Optical Properties ◽  
Vertical Electric Field ◽  
Variable Band Gap

The variable band-gap of the Si/As heterostructure (left) and optical absorption spectra for AA-stacking under a vertical electric field (right).

scholarly journals Mg(OH)2−WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover

2016 ◽  
Vol 94 (19) ◽  
Author(s):  
M. Yagmurcukardes ◽  
E. Torun ◽  
R. T. Senger ◽  
F. M. Peeters ◽  
H. Sahin
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Van Der Waals ◽  
Tunable Band Gap
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