The tunable electronic structure and mechanical properties of halogenated silicene: a first-principles study

2015 ◽  
Vol 3 (13) ◽  
pp. 3087-3094 ◽  
Author(s):  
Wei-Bing Zhang ◽  
Zhi-Bo Song ◽  
Liu-Ming Dou
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Effective Mass ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study ◽  
Carrier Effective Mass ◽  
Enhanced Stability

Halogenated silicene, with enhanced stability compared with silicene, presents a moderate and tunable direct gap with small carrier effective mass and improved elastic properties.

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

2012 ◽  
Vol 54 ◽  
pp. 287-292 ◽  
Author(s):  
Xiao-Jun Chen ◽  
Meng-Xue Zeng ◽  
Ren-Nian Wang ◽  
Zhou-Sheng Mo ◽  
Bi-Yu Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study

First principles study on electronic structure and elastic properties of LaCd and LaHg

2014 ◽  
Author(s):  
Hansa Devi ◽  
Gitanjali Pagare ◽  
S. S. Chouhan ◽  
Sankar P. Sanyal
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study

First Principles Study of Elastic Properties, Mechanical Properties and Electronic Band Structures of LiGaO2 Phases

2021 ◽  
Vol 223 (1) ◽  
pp. 68-80
Author(s):  
Thanit Saisopa ◽  
Chakrit Nualchimplee ◽  
Yuttakarn Rattanachai ◽  
Kompichit Seehamart ◽  
Isara Kotutha ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
First Principles ◽  
Band Structures ◽  
Electronic Band ◽  
First Principles Study ◽  
Electronic Band Structures

scholarly journals First-principles study on the effects of N and Al doping on the mechanical properties and electronic structures of TiC

RSC Advances ◽  
2020 ◽  
Vol 10 (60) ◽  
pp. 36295-36302
Author(s):  
Zhinan Cao ◽  
Na Jin ◽  
Jinwen Ye ◽  
Xu Du ◽  
Ying Liu
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Plane Wave ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Calculations ◽  
Al Doping ◽  
First Principles Study

First-principles calculations are carried out by DFT within the CASTEP plane wave code to investigate the mechanical properties and electronic structure of N and Al doped TiC.

Sign in / Sign up

Export Citation Format

Share Document