Iron Chalcogenide Photovoltaic Absorbers (pages 748–753)
Liping Yu, Stephan Lany, Robert Kykyneshi, Vorranutch Jieratum, Ram Ravichandran, Brian Pelatt, Emmeline Altschul, Heather A. S. Platt, John F. Wager, Douglas A. Keszler and Alex Zunger
Version of Record online: 10 AUG 2011 | DOI: 10.1002/aenm.201100351
An integrated computational and experimental study of FeS2 pyrite reveals that phase coexistence is an important factor limiting performance as a thin-film solar absorber. This phase coexistence is suppressed with the ternary materials Fe2SiS4 and Fe2GeS4, which also exhibit higher band gaps than FeS2. Thus, the ternaries provide a new entry point for development of thin-film absorbers and high-efficiency photovoltaics.