Gilks, Daniel, Nedelkoski, Zlatko, Lari, Leonardo orcid.org/0000-0002-1446-2877 et al. (8 more authors) (2016) Atomic and electronic structure of twin growth defects in magnetite. Scientific Reports. 20943. p. 20943. ISSN 2045-2322
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016, The Authors |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) The University of York > Faculty of Arts and Humanities (York) > Music (York) |
Funding Information: | Funder Grant number EPSRC EP/K003151/1 EPSRC EP/K03278X/1 |
Depositing User: | Pure (York) |
Date Deposited: | 19 Dec 2017 15:00 |
Last Modified: | 24 Oct 2024 23:54 |
Published Version: | https://doi.org/10.1038/srep20943 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1038/srep20943 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:125440 |