Polaron transport and Verwey transition in magnetite
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arXiv
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| Hauptverfasser: | , |
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| Format: | Preprint |
| Veröffentlicht: |
2026
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| _version_ | 1866917429506998272 |
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| author | Fominykh, Nikita Stegailov, Vladimir |
| author_facet | Fominykh, Nikita Stegailov, Vladimir |
| contents | The enigmatic puzzle of the Verwey transition in magnetite Fe$_3$O$_4$ has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combining kinetic Monte Carlo and molecular dynamics calculations to directly describe the coupling of polarons with lattice vibrations. Contrary to the Ihle-Lorentz small-polaron model, we find no significant change in the band structure across the Verwey transition, however, trimeron hopping is observed. The proposed model provides dc-conductivity in agreement with experimental data across the Verwey transition. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_20642 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Polaron transport and Verwey transition in magnetite Fominykh, Nikita Stegailov, Vladimir Materials Science The enigmatic puzzle of the Verwey transition in magnetite Fe$_3$O$_4$ has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combining kinetic Monte Carlo and molecular dynamics calculations to directly describe the coupling of polarons with lattice vibrations. Contrary to the Ihle-Lorentz small-polaron model, we find no significant change in the band structure across the Verwey transition, however, trimeron hopping is observed. The proposed model provides dc-conductivity in agreement with experimental data across the Verwey transition. |
| title | Polaron transport and Verwey transition in magnetite |
| topic | Materials Science |
| url | https://arxiv.org/abs/2604.20642 |