Advanced Calculations for Defects in Materials
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Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527638529, 9783527410248
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Accurate Treatment of Solids with the HSE Screened Hybrid

2011 ◽  
pp. 97-110 ◽  
Author(s):  
Thomas M. Henderson ◽  
Joachim Paier ◽  
Gustavo E. Scuseria
Keyword(s):  
Accurate Treatment

Electrostatic Interactions between Charged Defects in Supercells

2011 ◽  
pp. 241-258
Author(s):  
Christoph Freysoldt ◽  
Jörg Neugebauer ◽  
Chris G. Van de Walle
Keyword(s):  
Electrostatic Interactions ◽  
Charged Defects

Formation Energies of Point Defects at Finite Temperatures

2011 ◽  
pp. 259-284 ◽  
Author(s):  
Blazej Grabowski ◽  
Tilmann Hickel ◽  
Jörg Neugebauer
Keyword(s):  
Point Defects ◽  
Formation Energies

Defect Levels Through Hybrid Density Functionals: Insights and Applications

2011 ◽  
pp. 111-137 ◽  
Author(s):  
Audrius Alkauskas ◽  
Peter Broqvist ◽  
Alfredo Pasquarello
Keyword(s):  
Density Functionals ◽  
Defect Levels
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