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Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4

Author

Listed:
  • Keith P. McKenna

    (University of York
    WPI-AIMR, Tohoku University)

  • Florian Hofer

    (University of York)

  • Daniel Gilks

    (University of York)

  • Vlado K. Lazarov

    (University of York)

  • Chunlin Chen

    (WPI-AIMR, Tohoku University)

  • Zhongchang Wang

    (WPI-AIMR, Tohoku University)

  • Yuichi Ikuhara

    (WPI-AIMR, Tohoku University)

Abstract

The complex and intriguing properties of the ferrimagnetic half metal magnetite (Fe3O4) are of continuing fundamental interest as well as being important for practical applications in spintronics, magnetism, catalysis and medicine. There is considerable speculation concerning the role of the ubiquitous antiphase boundary (APB) defects in magnetite, however, direct information on their structure and properties has remained challenging to obtain. Here we combine predictive first principles modelling with high-resolution transmission electron microscopy to unambiguously determine the three-dimensional structure of APBs in magnetite. We demonstrate that APB defects on the {110} planes are unusually stable and induce antiferromagnetic coupling between adjacent domains providing an explanation for the magnetoresistance and reduced spin polarization often observed. We also demonstrate how the high stability of the {110} APB defects is connected to the existence of a metastable bulk phase of Fe3O4, which could be stabilized by strain in films or nanostructures.

Suggested Citation

  • Keith P. McKenna & Florian Hofer & Daniel Gilks & Vlado K. Lazarov & Chunlin Chen & Zhongchang Wang & Yuichi Ikuhara, 2014. "Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4," Nature Communications, Nature, vol. 5(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms6740
    DOI: 10.1038/ncomms6740
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    Cited by:

    1. Kun Xu & Ting Lin & Yiheng Rao & Ziqiang Wang & Qinghui Yang & Huaiwu Zhang & Jing Zhu, 2022. "Direct investigation of the atomic structure and decreased magnetism of antiphase boundaries in garnet," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    2. Kun Xu & Shih-Wei Hung & Wenlong Si & Yongshun Wu & Chuanrui Huo & Pu Yu & Xiaoyan Zhong & Jing Zhu, 2023. "Topotactically transformable antiphase boundaries with enhanced ionic conductivity," Nature Communications, Nature, vol. 14(1), pages 1-10, December.

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