Feasibility of band gap engineering of pyrite FeS₂

We use first-principles computations to investigate whether the band gap of pyrite FeS₂ can be increased by alloying in order to make it a more effective photovoltaic material. In addition to the isostructural compounds that have a larger band gap (ZnS₂, RuS₂, OsS₂), we evaluate non-rare-earth isova...

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Bibliographic Details
Main Authors: Sun, Ruoshi (Contributor), Ceder, Gerbrand (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor), Gerbrand, Ceder (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2012-04-24T16:34:10Z.
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