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          Institute: MPI für Chemische Physik fester Stoffe     Collection: publications 2013     Display Documents

ID: 671356.0, MPI für Chemische Physik fester Stoffe / publications 2013
Analysis of charge and orbital order in Fe3O4 by Fe L2,3 resonant x-ray diffraction
Authors:Tanaka, A.; Chang, C. F.; Buchholz, M.; Trabant, C.; Schierle, E.; Schlappa, J.; Schmitz, D.; Ott, H.; Metcalf, P.; Tjeng, L. H.; Schussler-Langeheine, C.
Date of Publication (YYYY-MM-DD):2013-11-06
Title of Journal:Physical Review B
Issue / Number:19
Start Page:195110-1
End Page:195110-15
Sequence Number of Article:195110
Review Status:not specified
Audience:Not Specified
Abstract / Description:To elucidate charge and orbital order below the Verwey transition temperature T-V similar to 125 K, a thin layer of magnetite partially detwined by growth on the steppedMgO(001) substrate has been studied by means of soft x-ray diffraction at the Fe L-2,L-3 resonance. The azimuth angle, incident photon polarization, and energy dependence of the (001/2)(c) and (001)(c) reflection intensities have been measured, and analyzed using a configuration-interaction FeO6 cluster model. The azimuth dependence of the (001/2)(c) reflection intensities directly represents the space-group symmetry of the orbital order in the initial state rather than indirectly through the intermediate-state level shifts caused by the order-induced lattice distortions. From the analysis of the (00 1 2) c reflection intensities, the orbital order in the t2g orbitals of B sites below T-V is proved to have a large monoclinic deformation with the value of Re[F-xy]/Re[F-yz] similar to 2. This finding contradicts the majority of theories on the Verwey transition so far proposed. We show that the experimentally observed resonance spectra cannot be explained by orbital and charge orders obtained with recent LDA+ U and GGA+ U band structure calculations but by a complex-number orbital order with excellent agreement.
External Publication Status:published
Document Type:Article
Communicated by:Ina Werner
Affiliations:MPI für chemische Physik fester Stoffe
Identifiers:ISI:000326601200002 [ID No:1]
ISSN:1098-0121 [ID No:2]
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