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 LiMnPO₄ to LiFePO₄. The barriers for free hole and electron polaron migration in the Mn olivine system are calculated to be 303 and 196 meV, r...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society,
2012-04-05T14:37:01Z.
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| Subjects: | |
| Online Access: | Get fulltext |
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