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...
| Main Authors: | , |
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| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2012
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| Online Access: | http://hdl.handle.net/1721.1/70118 https://orcid.org/0000-0002-6833-3480 |