Rapid Recombination by Cadmium Vacancies in CdTe
Author(s)
Kavanagh, Sean
Walsh, Aron
Scanlon, David
Type
Dataset
Abstract
CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion performance of 22%. The cadmium vacancy (VCd) is a prominent acceptor species in p-type CdTe; however, debate continues regarding its structural and electronic behavior. Using ab initio defect techniques, we calculate a negative-U double-acceptor level for VCd, while reproducing the VCd-1 hole-polaron, reconciling theoretical predictions with experimental observations. We find the cadmium vacancy facilitates rapid charge-carrier recombination, reducing maximum power-conversion efficiency by over 5% for untreated CdTe --- a consequence of tellurium dimerization, metastable structural arrangements, and anharmonic potential energy surfaces for carrier capture.
Date Issued
2021-02-15
Citation
2021
Copyright Statement
https://creativecommons.org/licenses/by/4.0/
Is Referenced By
Subjects
CdTe
vacancies
point defects
non-radiative recombination
carrier capture
photovoltaic efficiency