Re-examining the Verwey transition in Fe3O4

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Motivated by recent structural data questioning the adequacy of the charge order (CO)/disorder picture for the Verwey transition (at T=T_V) in magnetite, we re-investigate this issue within a new theoretical picture. Using the state-of-the-art LDA+DMFT method, we show that the non-trivial interplay between the B-site octahedral distortions and strong, multi-orbital electronic correlations in the half-metallic state is a necessary ingredient for a proper quantitative understanding of the physical responses across T_V. While weak CO is found to have very small effects on the low-T spectral function, the low-T charge gap and the resistivity jump across T_V are quantitatively reproduced only upon inclusion of CO in LSDA+DMFT scheme. Our results strongly suggest that the Verwey transition is dominantly driven by multi-orbital electronic correlations with associated JT distortions on the B-sublattice, and constitutes a non-trivial advance in attempts to understand the physics of Fe3O4.
4 pages, 3 figures

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Strongly Correlated Electrons, Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/103248

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0511390
 http://arxiv.org/abs/cond-mat/0511390

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arXiv