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

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.

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

Chinese Physics B ◽

10.1088/1674-1056/ac3a62 ◽

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.

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Tunable band gap of n-type GaN nanosheet: Effect of electric field and site of doping

10.1063/1.5122490 ◽

2019 ◽

Author(s):

Venus Sharma ◽

Sunita Srivastava

Keyword(s):

Electric Field ◽

Band Gap ◽

Tunable Band Gap

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

RSC Advances ◽

10.1039/c5ra10380k ◽

2015 ◽

Vol 5 (94) ◽

pp. 77154-77158 ◽

Cited By ~ 13

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.

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

RSC Advances ◽

10.1039/c7ra06097a ◽

2017 ◽

Vol 7 (55) ◽

pp. 34584-34590 ◽

Cited By ~ 24

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.

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Modulation of strain, electric field and organic cation rotation on the band gap and electronic structures of organic-inorganic hybrid perovskite CH3NH3PbI3

Chinese Journal of Physics ◽

10.1016/j.cjph.2020.08.005 ◽

2020 ◽

Vol 67 ◽

pp. 559-568

Author(s):

Hai-Ming Huang ◽

Hang-Jing Zhou ◽

Chen-Rui Wu ◽

Zhan-Wu Zhu ◽

Ze-Dong He

Keyword(s):

Electric Field ◽

Band Gap ◽

Electronic Structures ◽

Organic Cation ◽

Inorganic Hybrid ◽

Hybrid Perovskite

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

Canadian Journal of Physics ◽

10.1139/cjp-2021-0063 ◽

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 PdS2 materials by external strains. In the absence of external strain the 2D pentagonal PdS2 materials are indirect band gap semiconductors. The band gap decreases with an increase in the number of stacking PdS2 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 PdS2 materials. This strain tunability of electronic structures of 2D pentagonal PdS2 materials may be useful for their electro-mechanical applications.

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