First-principles study of structural stabilities, and electronic and optical properties ofCaF2under high pressure

2006 ◽  
Vol 73 (13) ◽  
Author(s):  
Xiang Wu ◽  
Shan Qin ◽  
Ziyu Wu
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

High-pressure structural, electronic and optical properties of KMgF3: A first-principles study

2009 ◽  
Vol 484 (1-2) ◽  
pp. 597-600 ◽  
Author(s):  
Shouxin Cui ◽  
Wenxia Feng ◽  
Haiquan Hu ◽  
Zhenbao Feng ◽  
Yuanxu Wang
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

Structural, electronic, and optical properties of crystalline iodoform under high pressure: A first-principles study

2011 ◽  
Vol 134 (3) ◽  
pp. 034508 ◽  
Author(s):  
Gang Bao ◽  
Defang Duan ◽  
Fubo Tian ◽  
Liancheng Wang ◽  
Bingbing Liu ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

First-Principles Study of Structural Stabilities, Electronic and Optical Properties of SrF 2 under High Pressure

2009 ◽  
Vol 26 (7) ◽  
pp. 077103 ◽  
Author(s):  
Hao Ai-Min ◽  
Yang Xiao-Cui ◽  
Li Jie ◽  
Xin Wei ◽  
Zhang Su-Hong ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study

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 ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
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 ◽  
First Principles ◽  
Electronic And Optical Properties ◽  
First Principles Study
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