Novel electronic properties of two-dimensional AsxSby alloys studied using DFT

2018 ◽  
Vol 6 (11) ◽  
pp. 2854-2861 ◽  
Author(s):  
N. Zhao ◽  
Y. F. Zhu ◽  
Q. Jiang
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Effective Mass ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band

Monolayered α-AsxSby alloys harbor the direct band gap and the low effective mass in the certain component.

scholarly journals Theoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe

2021 ◽  
Vol 37 (2) ◽  
Author(s):  
Nguyen Van Chuong ◽  
Nguyen Ngoc Hieu ◽  
Nguyen Van Hieu
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Structural And Electronic Properties ◽  
Direct Band ◽  
New Type

This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.

Electronic properties of polymorphic two-dimensional layered chromium disulphide

Nanoscale ◽  
2019 ◽  
Vol 11 (42) ◽  
pp. 20123-20132 ◽  
Author(s):  
Mohammad Rezwan Habib ◽  
Shengping Wang ◽  
Weijia Wang ◽  
Han Xiao ◽  
Sk Md Obaidulla ◽  
...  
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band ◽  
P Type

2D layered CrS2 flakes down to the monolayer are successfully synthesized, and different phases of CrS2 are observed and exhibit direct band gap p-type semiconducting, metallic, and semi-metallic behaviors, respectively.

Two-dimensional silicon phosphide: low effective mass and direct band gap for future devices applications

2019 ◽  
Vol 54 (18) ◽  
pp. 11878-11888 ◽  
Author(s):  
Shivam Kansara ◽  
Prabal Dev Bhuyan ◽  
Yogesh Sonvane ◽  
Sanjeev K. Gupta
Keyword(s):  
Band Gap ◽  
Effective Mass ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band

Strain-induced semimetal-to-semiconductor transition and indirect-to-direct band gap transition in monolayer 1T-TiS2

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83876-83879 ◽  
Author(s):  
Chengyong Xu ◽  
Paul A. Brown ◽  
Kevin L. Shuford
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Plane Strain ◽  
Material Properties ◽  
First Principles ◽  
Tensile Strain ◽  
First Principles Calculations ◽  
Direct Band Gap ◽  
Direct Band ◽  
Uniform Plane

We have investigated the effect of uniform plane strain on the electronic properties of monolayer 1T-TiS2using first-principles calculations. With the appropriate tensile strain, the material properties can be transformed from a semimetal to a direct band gap semiconductor.

scholarly journals Theoretical investigations of a new two-dimensional semiconducting boron–carbon–nitrogen structure

RSC Advances ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 3424-3428
Author(s):  
Yihua Lu ◽  
Xi Zhu ◽  
Min Wang
Keyword(s):  
Band Gap ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Theoretical Investigations ◽  
Direct Band ◽  
Optical Applications ◽  
Boron Carbon

A predicted 2D BCN structure has a direct band gap and is a good candidate for electronic and optical applications.

Two-Dimensional Hydroxyl-Functionalized and Carbon-Deficient Scandium Carbide, ScCxOH, a Direct Band Gap Semiconductor

ACS Nano ◽  
2019 ◽  
Author(s):  
Jie Zhou ◽  
Xian-Hu Zha ◽  
Melike Yildizhan ◽  
Per Eklund ◽  
Jianming Xue ◽  
...  
Keyword(s):  
Band Gap ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band

Electronic properties of Janus silicene: new direct band gap semiconductors

2016 ◽  
Vol 49 (44) ◽  
pp. 445305 ◽  
Author(s):  
Minglei Sun ◽  
Qingqiang Ren ◽  
Sake Wang ◽  
Jin Yu ◽  
Wencheng Tang
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Direct Band Gap ◽  
Direct Band

scholarly journals CVD controlled growth of large-scale WS2 monolayers

RSC Advances ◽  
2019 ◽  
Vol 9 (51) ◽  
pp. 29628-29635 ◽  
Author(s):  
Zhuhua Xu ◽  
Yanfei Lv ◽  
Jingzhou Li ◽  
Feng Huang ◽  
Pengbo Nie ◽  
...  
Keyword(s):  
Band Gap ◽  
Large Scale ◽  
Tungsten Disulfide ◽  
Controlled Growth ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band

Monolayer tungsten disulfide (WS2) with a direct band gap of ca. 2.0 eV and stable properties has been a hotspot in two-dimensional (2D) nanoelectronics and optoelectronics.

Penta-MX2 (M = Ni, Pd and Pt; X = P and As) monolayers: direct band-gap semiconductors with high carrier mobility

2019 ◽  
Vol 7 (12) ◽  
pp. 3569-3575 ◽  
Author(s):  
Shifeng Qian ◽  
Xiaowei Sheng ◽  
Xian Xu ◽  
Yuxiang Wu ◽  
Ning Lu ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Ring Network ◽  
Direct Band Gap ◽  
Direct Band ◽  
High Carrier Mobility ◽  
High Carrier

Two-dimensional binary MX2 (M = Ni, Pd and Pt; X = P and As) exhibiting a beautiful pentagonal ring network is discussed through first principles calculations.

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