Comparison of small polaron migration and phase separation in olivine LiMnPO4 and LiFePO4 using hybrid density functional theory
Using hybrid density functional theory based on the Heyd-Scuseria-Ernzerhof (HSE06) functional, we compared polaron migration and phase separation in olivine LiMnPO[subscript 4] to LiFePO[subscript 4]. The barriers for free hole and electron polaron migration in the Mn olivine system are calculated...
Main Authors: | Ong, Shyue Ping (Contributor), Chevrier, Vincent L. (Contributor), Ceder, Gerbrand (Contributor) |
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Other Authors: | Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor) |
Format: | Article |
Language: | English |
Published: |
American Physical Society,
2011-05-19T13:17:18Z.
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Subjects: | |
Online Access: | Get fulltext |
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