title: Structural distortion, charge modulation and local anisotropies in magnetite below the Verwey transition using resonant X-ray scattering.
abstract: The pattern of charge modulations and local anisotropies below the Verwey transition has been determined and quantified in high-quality Fe(3)O(4) single crystals and thin films grown on MgO by using resonant X-ray scattering at the Fe K-edge. The energy, polarization and azimuthal angle dependencies of an extensive set of reflections with potential sensitivity to charge or local anisotropy orderings have been analyzed to explore their origins. A charge disproportion on octahedral B sites of 0.20 ± 0.05 e(-) with [0 0 1] and [1 1 0] cubic periodicities has been confirmed, while no significant charge disproportion has been obtained with [0 0 1/2] cubic periodicity. Additional charge modulations in the monoclinic a-b plane are also present. In addition, the occurrence of new forbidden (1, 1, 0) and (0, 0, 2n + 1/2) cubic reflections that arise from the anisotropy of the local structure around different tetrahedral and octahedral Fe atoms is shown. This complex pattern of weak charge modulations and local anisotropies is fully compatible with the low-temperature crystal structure refined in the non-polar C2/c space group and disproves any bimodal charge disproportion of the octahedral Fe atoms.
authors.affiliation: Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, Departamento de Física de Materia Condensada, Pedro Cerbuna 12, 50009 Zaragoza, Spain. gloria@unizar.es
authors.forename: Gloria
authors.initials: G
authors.lastname: Subías
authors.forename: Joaquín
authors.initials: J
authors.lastname: García
authors.forename: Javier
authors.initials: J
authors.lastname: Blasco
authors.forename: Javier
authors.initials: J
authors.lastname: Herrero-Martín
authors.forename: M Concepción
authors.initials: MC
authors.lastname: Sánchez
authors.forename: Julia
authors.initials: J
authors.lastname: Orna
authors.forename: Luis
authors.initials: L
authors.lastname: Morellón