First principles study on electronic structure and optical properties of novel Na-hP4 high pressure phase

2010 ◽  
Vol 20 (6) ◽  
pp. 1092-1096
Author(s):  
Yi-min SHI ◽  
Shao-long YE
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
High Pressure Phase ◽  
First Principles Study ◽  
Pressure Phase

Electronic structure and optical properties of CdTe rock-salt high pressure phase

2003 ◽  
Vol 235 (2) ◽  
pp. 509-513 ◽  
Author(s):  
H. S. Güder ◽  
S. Gilliland ◽  
J. A. Sans ◽  
A. Segura ◽  
J. González ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Rock Salt ◽  
High Pressure Phase ◽  
Pressure Phase

First Principles Study of High Pressure Phase Transitions in ThN and UN

2011 ◽  
Author(s):  
P. Modak ◽  
Ashok K. Verma ◽  
Alka B. Garg ◽  
R. Mittal ◽  
R. Mukhopadhyay
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
First Principles ◽  
High Pressure Phase ◽  
First Principles Study ◽  
Pressure Phase

scholarly journals Electronic structure and optical properties of CsI under high pressure: a first-principles study

RSC Advances ◽  
2017 ◽  
Vol 7 (83) ◽  
pp. 52449-52455 ◽  
Author(s):  
Qiang Zhao ◽  
Zheng Zhang ◽  
Xiaoping Ouyang
Keyword(s):  
Density Functional Theory ◽  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Calculation Method ◽  
Density Functional ◽  
First Principles Calculation ◽  
Functional Theory ◽  
First Principles Study

We investigated the effects of high pressure on the electronic structure and optical properties of a CsI crystal through a first-principles calculation method based on density functional theory.

High Pressure Phase of LiAlO2: A First Principles Study

2014 ◽  
Vol 156 (1) ◽  
pp. 15-22 ◽  
Author(s):  
Wutthigrai Sailuam ◽  
Kanoknan Sarasamak ◽  
Sukit Limpijumnong
Keyword(s):  
High Pressure ◽  
First Principles ◽  
High Pressure Phase ◽  
First Principles Study ◽  
Pressure Phase
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