Open AccessSpin-orbit coupling effects on predicting defect properties with hybrid functionals: A case study in CdTe
Author(s) -
Jie Pan,
Wyatt K. Metzger,
Stephan Lany
Publication year - 2018
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.98.054108
Subject(s) - hybrid functional , physics , atomic orbital , delocalized electron , cadmium telluride photovoltaics , coupling (piping) , band gap , density functional theory , spin–orbit interaction , mixing (physics) , atomic physics , condensed matter physics , energy (signal processing) , materials science , quantum mechanics , electron , optoelectronics , metallurgy