2014/11/17 by I. Bernal-Villamil, Iván Bernal-Villamil, S. Gallego +1 · 1 citation
Chemistry · Energy · Environmental Science · Materials Science · Physics and Astronomy · #Charge (physics) #Charge ordering #Chemistry #Condensed matter physics #Crystallography #Electron #Electronic structure #Iron oxide chemistry and applications #Magnetic Properties and Synthesis of Ferrites #Materials science #Minerals Flotation and Separation Techniques #Order (exchange) #Physics #Polaron #Quantum mechanics #Range (aeronautics) #Vacancy defect #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.90.195126
published as Physical Review B 90, 195126 (2014) · 11 pages, 13 figures
openalex publication_date 2014/11/17 · arxiv created 2014/11/20 · arxiv updated 2014/11/21 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We perform a detailed study of the electronic structure of Fe_1\ensuremath-xO at moderate values of x. Our results evidence that the Fe vacancies introduce significant local modifications of the structural, electronic, and magnetic features, which serve to explain the origin of the measured dependencies of the physical properties on x. The final properties are determined by a complex interplay of the charge demand from O, the magnetic interactions, and the charge order at the Fe sublattice. Furthermore, polaronic distributions of charge resembling those at magnetite, Fe3O4, emerge for the most stable defect structures. This defines a unique scenario to understand the nature of the short-range correlations in Fe3O4, and unveils their intimate connection to the long-range charge order developed below the Verwey transition temperature.