First principles study of structural, elastic, electronic and optical properties of CuCl, CuBr and CuI compounds under hydrostatic pressure

2006 ◽  
Vol 381 (1-2) ◽  
pp. 179-186 ◽  
Author(s):  
B. Amrani ◽  
T. Benmessabih ◽  
M. Tahiri ◽  
I. Chiboub ◽  
S. Hiadsi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Hydrostatic Pressure ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

Hydrostatic-pressure-dependent electronic and optical properties of tungstate MnWO4: A first-principles study

2019 ◽  
Vol 57 ◽  
pp. 157-164
Author(s):  
Lugang Cai ◽  
Xianzhu Tang ◽  
Chunbao Liu ◽  
Rong Lin
Keyword(s):  
Optical Properties ◽  
Hydrostatic Pressure ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

First-principles study of the stability, electronic and optical properties of CdTe under hydrostatic pressure

2021 ◽  
Vol 764 ◽  
pp. 138272
Author(s):  
Diwen Liu ◽  
Jinrong Feng ◽  
Mengji Tian ◽  
Qiaohong Li ◽  
Rongjian Sa
Keyword(s):  
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Hydrostatic Pressure ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study ◽  
The Stability

First-principles study of the structural, electronic and optical properties of the cubic triangular quaternary ZnxCdyHg1-x-yTe alloys under hydrostatic pressure

2019 ◽  
Vol 59 ◽  
pp. 189-209
Author(s):  
F. Kadari ◽  
A. Abdiche ◽  
F. Semari ◽  
R. Moussa ◽  
T. Seddik ◽  
...  
Keyword(s):  
Optical Properties ◽  
Hydrostatic Pressure ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

2020 ◽  
Vol 31 (37) ◽  
pp. 375706 ◽  
Author(s):  
Fei Yang ◽  
Junnan Han ◽  
Le Zhang ◽  
Xianhong Tang ◽  
Zhenguo Zhuo ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Electronic And Optical Properties ◽  
First Principles Study ◽  
Van Der Waals Heterostructure ◽  
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scholarly journals First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽  
2021 ◽  
Vol 11 (42) ◽  
pp. 26432-26443
Author(s):  
Chol-Hyok Ri ◽  
Yun-Sim Kim ◽  
Un-Gi Jong ◽  
Yun-Hyok Kye ◽  
Se-Hun Ryang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
Potassium Iodide ◽  
Solid Solutions ◽  
First Principles ◽  
Lead Free ◽  
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First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

scholarly journals First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

AIP Advances ◽  
2015 ◽  
Vol 5 (5) ◽  
pp. 057111 ◽  
Author(s):  
Xuebiao Zhang ◽  
Dewei Rao ◽  
Ruifeng Lu ◽  
Kaiming Deng ◽  
Dongguo Chen
Keyword(s):  
Optical Properties ◽  
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First Principles Study

First-principles study of the stability, mechanical, electronic and optical properties of Cd0.75Hg0.25Se

2021 ◽  
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Author(s):  
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Xueyou Wang ◽  
Yanjie Zhang ◽  
Rongjian Sa
Keyword(s):  
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First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study ◽  
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Electronic and optical properties of AgAlO2: A first-principles study

2017 ◽  
Vol 190 ◽  
pp. 114-119 ◽  
Author(s):  
K.C. Bhamu ◽  
K.R. Priolkar
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study
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