Antisite traps and metastable defects in Cu(In,Ga)Se2 thin-film solar cells studied by screened-exchange hybrid density functional theory

Johan Pohl, Thomas Unold, Karsten Albe

Electronic structure calculations within screened-exchange hybrid density functional theory show that Cu(In,Ga) antisites in both CuInSe2 and CuGaSe2 are localized hole traps, whic…