Effects of the vacancy point-defect on the refractive index and equation of state (EOS) of LiF at high pressure: A first principles investigation

2012 ◽  
Vol 407 (4) ◽  
pp. 694-697 ◽  
Author(s):  
L. He ◽  
M.J. Tang ◽  
J. Yin ◽  
X.M. Zhou ◽  
W.J. Zhu ◽  
...  
Keyword(s):  
High Pressure ◽  
Refractive Index ◽  
Equation Of State ◽  
Point Defect ◽  
First Principles

First-principles calculations for structure and equation of state of MgB2 at high pressure

2005 ◽  
Vol 370 (1-4) ◽  
pp. 281-286 ◽  
Author(s):  
Xiang-Rong Chen ◽  
Hai-Yan Wang ◽  
Yan Cheng ◽  
Yan-Jun Hao
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
First Principles ◽  
First Principles Calculations

Study of the Structure and First-Principles of Optical Properties for Alkali Metal (Li,Na,K) under High Pressure Physical Conditions

2011 ◽  
Vol 396-398 ◽  
pp. 2111-2114
Author(s):  
Qiang Wang ◽  
Song Jie Wu ◽  
Ji Song Fu ◽  
Yan Li ◽  
Jian Nan Liu
Keyword(s):  
High Pressure ◽  
Refractive Index ◽  
Optical Properties ◽  
Hydrostatic Pressure ◽  
Alkali Metal ◽  
First Principles ◽  
Electronic Structures ◽  
New Materials ◽  
Physical Conditions ◽  
Metal Materials

Under high pressure, materials will show certain properties, which are different from its performance under normal conditions, even making the metal materials to insulator or semiconductor. It’s very important for synthesizing new materials. In view of the complex changing behavior of the electronic structures and optical properties of the alkali metal in loading conditions, absorption spectra, refractive index, and reflectivity of the three alkali metal (Li,Na,K) were investigated by using the first-principles method under Hydrostatic Pressure in this thesis.

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