The mechanism of elastic and electronic properties of Tungsten Silicide (5/3) with vacancy defect from the first-principles calculations

Vacuum ◽  
2020 ◽  
Vol 174 ◽  
pp. 109192 ◽  
Author(s):  
Dongzhi Li ◽  
Xudong Zhang ◽  
Jiaying Chen ◽  
Yang Liu ◽  
Feng Wang
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Vacancy Defect ◽  
First Principles Calculations ◽  
Tungsten Silicide

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.

First-principles calculations of Co 7 W 6 doped with Re: Site occupancy and electronic properties

2017 ◽  
Vol 13 ◽  
pp. 36-40 ◽  
Author(s):  
Pan Li ◽  
Jianxin Zhang ◽  
Youjian Zhang ◽  
Wenyang Zhang ◽  
Huixin Jin
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Site Occupancy ◽  
First Principles Calculations
Sign in / Sign up

Export Citation Format

Share Document