Comparison of small polaron migration and phase separation in olivine LiMnPO4 and LiFePO4 using hybrid density functional theory

Comparison of small polaron migration and phase separation in olivine LiMnPO4 and LiFePO4 using hybrid density functional theory

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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...

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Bibliographic Details
Main Authors: Ong, Shyue Ping (Contributor), Chevrier, Vincent L. (Contributor), Ceder, Gerbrand (Contributor)
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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