Szczegóły publikacji
Opis bibliograficzny
Trimeron-phonon coupling in magnetite / Przemysław Piekarz, Dominik Legut, Edoardo Baldini, Carina A. Belvin, Tomasz Kołodziej, Wojciech TABIŚ, Andrzej KOZŁOWSKI, Zbigniew KĄKOL, Zbigniew TARNAWSKI, Jose Lorenzana, Nuh Gedik, Andrzej M. Oleś, Jurgen M. Honig, Krzysztof Parliński // Physical Review. B ; ISSN 2469-9950. — Tytuł poprz.: Physical Review B, Condensed Matter and Materials Physics ; ISSN: 1098-0121. — 2021 — vol. 103 iss. 10 art. no. 104303, s. 104303-1–104303-11. — Bibliogr. s. 104303-9–104303-11. — Publikacja dostępna online od: 2021-03-17
Autorzy (14)
- Piekarz Przemysław
- Legut Dominik
- Baldini Edoardo
- Belvin Carina A.
- Kołodziej Tomasz
- AGHTabiś Wojciech
- AGHKozłowski Andrzej
- AGHKąkol Zbigniew
- AGHTarnawski Zbigniew
- Lorenzana José
- Gedik Nuh
- Oleś Andrzej M.
- Honig Jurgen M.
- Parliński Krzysztof
Dane bibliometryczne
| ID BaDAP | 136585 |
|---|---|
| Data dodania do BaDAP | 2021-09-30 |
| Tekst źródłowy | URL |
| DOI | 10.1103/PhysRevB.103.104303 |
| Rok publikacji | 2021 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Creative Commons | |
| Czasopismo/seria | Physical Review, B |
Abstract
Using density functional theory, we study the lattice dynamical properties of magnetite (Fe3O4) in the high-temperature cubic and low-temperature monoclinic phases. The calculated phonon dispersion curves and density of states are compared with the available experimental data obtained by inelastic neutron, inelastic x-ray, and nuclear inelastic scattering. We find a very good agreement between the theoretical and experimental results for the monoclinic Cc structure revealing the strong coupling between the charge-orbital (trimeron) order and specific phonon modes. For the cubic phase, clear discrepancies arise due to fluctuation effects, which are not included in the calculation method. Despite this shortcoming, we argue that the main spectral features can be understood assuming that the strong trimeron-phonon coupling is extended above the Verwey transition, with lattice dynamics influenced by the short-range order instead of the average cubic structure. Our results indicate the validity of trimerons (and trimeron-phonon coupling) to explain the physics of magnetite much beyond their original formulation.