Crystallization of a Yukawa fluid via a modified weighted density approximation with a solid reference state

2000 ◽  
Vol 112 (6) ◽  
pp. 2826-2833 ◽  
Author(s):  
Dean C. Wang ◽  
Alice P. Gast
Keyword(s):  
Reference State ◽  
Density Approximation ◽  
Weighted Density ◽  
Yukawa Fluid ◽  
Weighted Density Approximation

Defect Energy Levels in HfO2, ZrO2, La2O3 and SrTiO3

2004 ◽  
Vol 811 ◽  
Author(s):  
K Xiong ◽  
P W Peacock ◽  
J Robertson
Keyword(s):  
Band Gap ◽  
Oxygen Vacancies ◽  
Energy Levels ◽  
Density Approximation ◽  
Weighted Density ◽  
Defect Energy ◽  
High K ◽  
Screened Exchange ◽  
Weighted Density Approximation

AbstractDefect energy levels of oxygen vacancies in various high K oxides HfO2, ZrO2, La2O3 and SrTiO3 have been calculated using methods which give the correct band gap, such as the screened exchange and weighted density approximation.

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