First-principles investigation of optoelectronic properties of novel SnS2 with a cubic structure

2021 ◽  
Vol 333 ◽  
pp. 114344
Author(s):  
A. Zelati ◽  
R. Taghavimendi ◽  
A. Bakhshayeshi
Keyword(s):  
First Principles ◽  
Optoelectronic Properties ◽  
Cubic Structure

First-principles investigation on the thickness-dependent optoelectronic properties of two-dimensional perovskite BA2SnI4

2021 ◽  
pp. 413070
Author(s):  
Meiping Liu ◽  
Yong Tang ◽  
Xiangli Zhong ◽  
Zheng Li ◽  
Yingtang Zhou ◽  
...  
Keyword(s):  
First Principles ◽  
Optoelectronic Properties ◽  
Two Dimensional

scholarly journals Optoelectronic Properties of Zinc Oxide: A First-Principles Investigation Using the Tran-Blaha Modified Becke-Johnson Potential

2019 ◽  
Vol 256 (4) ◽  
pp. 1800380 ◽  
Author(s):  
Rosely M. V. S. Almeida ◽  
Andreia Luisa da Rosa ◽  
Thomas Frauenheim ◽  
Jailton S. de Almeida
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Optoelectronic Properties

scholarly journals Allotropes of tellurium from first-principles crystal structure prediction calculations under pressure

RSC Advances ◽  
2018 ◽  
Vol 8 (69) ◽  
pp. 39650-39656 ◽  
Author(s):  
Yuan Liu ◽  
Shunbo Hu ◽  
Riccarda Caputo ◽  
Kaitong Sun ◽  
Yongchang Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Stability ◽  
First Principles ◽  
Structure Prediction ◽  
Crystal Structure Prediction ◽  
Transition Sequence ◽  
Trigonal Structure ◽  
Cubic Structure

Through first-principles simulations, we suggest the phase stability of the allotropic transition sequence of tellurium from the trigonal structure up to the cubic structure.

Sign in / Sign up

Export Citation Format

Share Document