Open AccessElectron and chemical reservoir corrections for point-defect formation energies
Author(s) -
Christoph Freysoldt,
Björn Lange,
Jörg Neugebauer,
Qimin Yan,
John L. Lyons,
Anderson Janotti,
Chris G. Van de Walle
Publication year - 2016
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.93.165206
Subject(s) - hybrid functional , density functional theory , local density approximation , valence (chemistry) , point (geometry) , physics , trace (psycholinguistics) , valence band , work (physics) , electron , position (finance) , statistical physics , computational physics , quantum mechanics , mathematics , geometry , linguistics , philosophy , finance , economics