Mechanism of the Verwey Transition in Magnetite
✍ Scribed by Piekarz, Przemysław; Parlinski, Krzysztof; Oleś, Andrzej M.
- Book ID
- 120501238
- Publisher
- The American Physical Society
- Year
- 2006
- Tongue
- English
- Weight
- 232 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0031-9007
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✦ Synopsis
By combining ab initio results for the electronic structure and phonon spectrum with the group theory, we establish the origin of the Verwey transition in Fe 3 O 4 . Two primary order parameters with X 3 and 5 symmetries are identified. They induce the phase transformation from the high-temperature cubic to the low-temperature monoclinic structure. The on-site Coulomb interaction U between 3d electrons at Fe ions plays a crucial role in this transition -it amplifies the coupling of phonons to conduction electrons and thus opens a gap at the Fermi energy.
📜 SIMILAR VOLUMES
## Abstract The Verwey transition in magnetite is investigated using a band model with interatomic Coulomb energy introduced by Cullen and Callen. This model is treated in the Hartree‐Fock approximation. A tight‐binding calculation of the band structure with Verwey ordering yields a gap in the sing