Mechanism of the Verwey transition in magnetite

Abstract

By combining {\it 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 ${\Delta }_5$ 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. {\it Published in Phys. Rev. Lett. {\bf 97}, 156402 (2006).}

5 pages, 3 figures

References in corpus (3)

• Resonant X-ray diffraction studies on the charge ordering in magnetite
• High-energy photoemission on Fe3O4: Small polaron physics and the Verwey transition
• Investigation of the presence of charge order in magnetite by measurement of the spin wave spectrum

Cited by in corpus (12)

• Electrically-driven phase transition in magnetite nanostructures
• Origin of the Verwey transition in magnetite: Group theory, electronic structure, and lattice dynamics study
• Frustration and entanglement in the $t_{2g}$ spin--orbital model on a triangular lattice: valence--bond and generalized liquid states
• Zener double exchange from local valence fluctuations in magnetite
• Strong Effects of Cation Vacancies on the Electronic and Dynamical Properties of FeO
• Trimeron-phonon coupling in magnetite
• Verwey transition as evolution from electronic nematicity to trimerons via electron-phonon coupling
• Frenkel pair formation energy for cubic Fe${}_3$O${}_4$ in DFT+U calculations
• Influence of isolated and clustered defects on electronic and dielectric properties of wustite
• Ultrafast generation of hidden phases via energy-tuned electronic photoexcitation in magnetite
• Dual-stage structural response to quenching charge order in magnetite
• Order parameters in the Verwey phase transition