Electronic structure and optical properties of β-FeSi2(100)/Si(001) interface at high pressure

2012 ◽  
Vol 101 (11) ◽  
pp. 111909 ◽  
Author(s):  
L. Z. Liu ◽  
X. L. Wu ◽  
X. X. Liu ◽  
J. C. Shen ◽  
T. H. Li ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure

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

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.

scholarly journals Electronic structure and optical properties of ZnSe under high pressure

2008 ◽  
Vol 57 (6) ◽  
pp. 3753
Author(s):  
Ji Zheng-Hua ◽  
Zeng Xiang-Hua ◽  
Hu Yong-Jin ◽  
Tan Ming-Qiu
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure

ELECTRONIC AND OPTICAL PROPERTIES OF PERFECT MgO AND MgO WITH F CENTER UNDER HIGH PRESSURE

2013 ◽  
Vol 24 (08) ◽  
pp. 1350052 ◽  
Author(s):  
J. ZHANG ◽  
Z. ZENG
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Oxygen Vacancy ◽  
Applied Pressure ◽  
Band Gaps ◽  
First Principle ◽  
Practical Applications ◽  
F Center ◽  
Insight Into

A first-principle method is used to investigate the electronic structure and optical properties of MgO and MgO containing an oxygen vacancy. In the presence of the oxygen vacancy, a new electronic state appears in the band gap, which leads to additional peaks in the optical spectra. Furthermore, under applied pressure, the band gaps become larger, and the curves of optical properties including the dielectric function ε(ω) and absorption coefficient α(ω) shift towards higher energy. The knowledge of MgO and MgO with F center under high pressure may provide insight into their practical applications.

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