scholarly journals Van der Waals grapgene/MoS2 heterostructure: Tuning the electronic properties and Schottky barrier by biaxial strain

2021 ◽  
Author(s):  
Qinglong Fang ◽  
Min Li ◽  
Xumei Zhao ◽  
Lin Yuan ◽  
Boyu Wang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Schottky Barrier ◽  
First Principles ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
First Principles Calculations ◽  
Biaxial Strain ◽  
Interlayer Interaction

First principles calculations are performed to study the effects of the interlayer distance and biaxial strain on electronic properties and contact properties of graphene/MoS2 heterostructures. The interlayer interaction is weakened...

First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures

2018 ◽  
Vol 20 (38) ◽  
pp. 24726-24734 ◽  
Author(s):  
Song Li ◽  
Minglei Sun ◽  
Jyh-Pin Chou ◽  
Jie Wei ◽  
Huaizhong Xing ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Electronic Properties ◽  
Schottky Barrier ◽  
First Principles ◽  
Van Der Waals ◽  
Absorption Efficiency ◽  
First Principles Calculations ◽  
Barrier Heights

The tunable Schottky barrier heights and optical absorption efficiency in van der Waals SiC-based heterostructures are investigated.

scholarly journals Electric field induced electronic properties modification of ZrS2/HfS2 van der Waals heterostructure

RSC Advances ◽  
2017 ◽  
Vol 7 (24) ◽  
pp. 14625-14630 ◽  
Author(s):  
Jimin Shang ◽  
Shuai Zhang ◽  
Xuerui Cheng ◽  
Zhongming Wei ◽  
Jingbo Li
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
External Electric Field ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructure

By using first-principles calculations, we investigate the electronic properties of a ZrS2/HfS2 heterostructure modulated by an external electric field.

ZnO/g-GeC van der Waals heterostructure: novel photocatalyst for small molecule splitting

2019 ◽  
Vol 7 (16) ◽  
pp. 4791-4799 ◽  
Author(s):  
Xu Gao ◽  
Yanqing Shen ◽  
Yanyan Ma ◽  
Shengyao Wu ◽  
Zhongxiang Zhou
Keyword(s):  
Electronic Properties ◽  
Small Molecule ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructure ◽  
Photocatalytic Performances

First principles calculations by PBE and hybrid HSE06 functional are performed to explore the electronic properties and photocatalytic performances of ZnO/graphene-like (g-GeC) vdWHs.

TiS3 sheet based van der Waals heterostructures with a tunable Schottky barrier

Nanoscale ◽  
2018 ◽  
Vol 10 (2) ◽  
pp. 807-815 ◽  
Author(s):  
Jie Liu ◽  
Yaguang Guo ◽  
Fancy Qian Wang ◽  
Qian Wang
Keyword(s):  
Schottky Barrier ◽  
First Principles ◽  
Van Der Waals ◽  
Metallic Materials ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Device Applications

First-principles calculations suggest that the TiS3 monolayer has the potential for device applications as a channel material contacting with graphene or other 2D metallic materials to form heterojunctions.

Modulation of strain on electronic structure and contact type of BP/SnS van der Waals heterostructure

2021 ◽  
Author(s):  
Jia-Le Chen ◽  
Jing-Xue Du ◽  
Jing Yang ◽  
Lijie Shi
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Large Range ◽  
Van Der Waals ◽  
Electronic Devices ◽  
Band Alignment ◽  
First Principles Calculations ◽  
Contact Type ◽  
Van Der Waals Heterostructure ◽  
Anisotropic Character

Abstract Vertical van der Waals heterostructures(vdWH) composed of two monolayer materials can provide new opportunities for layered electronic devices. Here we present a detailed theoretical investigation about the electronic properties of BP/SnS vdWH by applying in-plane uniaxial and biaxial strains. Our first principles calculations suggest that the direct bandgap of BP/SnS vdWH can be maintained within a large range of uniaxial and biaxial strains. We also find that the bandgap, band alignment and contact type of BP/SnS vdWH can be tuned by uniaxial and biaxial strains. In addition, the Poisson’s ratio exhibits an intense anisotropy with respect to the uniaxial strain along zigzag and armchair directions. The easily tunable electronic properties and highly anisotropic character of BP/SnS vdWH make it to be a promising material in the field of photovoltaic cells, photodetectors, and other functional nano devices.

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