title: Atomic and electronic structure of twin growth defects in magnetite.
abstract: We report the existence of a stable twin defect in Fe3O4 thin films. By using aberration corrected scanning transmission electron microscopy and spectroscopy the atomic structure of the twin boundary has been determined. The boundary is confined to the (111) growth plane and it is non-stoichiometric due to a missing Fe octahedral plane. By first principles calculations we show that the local atomic structural configuration of the twin boundary does not change the nature of the superexchange interactions between the two Fe sublattices across the twin grain boundary. Besides decreasing the half-metallic band gap at the boundary the altered atomic stacking at the boundary does not change the overall ferromagnetic (FM) coupling between the grains.
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Daniel
authors.initials: D
authors.lastname: Gilks
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Zlatko
authors.initials: Z
authors.lastname: Nedelkoski
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Leonardo
authors.initials: L
authors.lastname: Lari
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Balati
authors.initials: B
authors.lastname: Kuerbanjiang
authors.affiliation: Secure Materials Centre, Materials and Structures Laboratory, Tokyo Institute for Technology, 4259 Nagatsuta, Midori-ku, Yokohama-city, Kanagawa, 226-8503, Japan.
authors.forename: Kosuke
authors.initials: K
authors.lastname: Matsuzaki
authors.affiliation: Secure Materials Centre, Materials and Structures Laboratory, Tokyo Institute for Technology, 4259 Nagatsuta, Midori-ku, Yokohama-city, Kanagawa, 226-8503, Japan.
authors.forename: Tomofumi
authors.initials: T
authors.lastname: Susaki
authors.affiliation: SuperSTEM, STFC Daresbury Laboratories, Keckwick Lane, Warrington, WA4 4AD, UK.
authors.forename: Demie
authors.initials: D
authors.lastname: Kepaptsoglou
authors.affiliation: SuperSTEM, STFC Daresbury Laboratories, Keckwick Lane, Warrington, WA4 4AD, UK.
authors.forename: Quentin
authors.initials: Q
authors.lastname: Ramasse
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Richard
authors.initials: R
authors.lastname: Evans
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Keith
authors.initials: K
authors.lastname: McKenna
authors.affiliation: Department of Physics, University of York, Heslington, York, YO10 5DD, UK.
authors.forename: Vlado K
authors.initials: VK
authors.lastname: Lazarov