Self-consistent construction of bridge functional based on the weighted density approximation

2021 ◽  
Vol 154 (12) ◽  
pp. 124113
Author(s):  
Tomoaki Yagi ◽  
Hirofumi Sato
Keyword(s):  
Density Approximation ◽  
Weighted Density ◽  
Self Consistent ◽  
Weighted Density Approximation ◽  
Bridge Functional

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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