Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS2

The stoichiometry and ubiquitous observation of p-type conductivity of synthetic pyrite FeS[subscript 2] thin films are investigated via first-principles computations of native (vacancies, interstitials, antisites) and extrinsic (O[subscript S], O[subscript i]) point defects. Native defects have hig...

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Bibliographic Details
Main Authors: Sun, Ruoshi, Chan, Maria K., Kang, ShinYoung, Ceder, Gerbrand
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2011
Online Access:http://hdl.handle.net/1721.1/67315
https://orcid.org/0000-0002-6833-3480
https://orcid.org/0000-0003-0333-6565