Distinct configurations of antisite defects in ordered metal phosphates: Comparison between LiMnPO 4 and LiFePO 4

Sung Yoon Chung, Si Young Choi, Seongsu Lee, Yuichi Ikuhara

    研究成果: Article

    53 引用 (Scopus)

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    By using a combination of aberration-corrected high-angle annular dark-field scanning transmission electron microscopy, ab initio density-functional theory calculations, and neutron powder diffraction techniques, We have found completely different configurations of the antisite exchange defects in LiMnPO 4 and LiFePO 4, with a random distribution of the exchange pairs without aggregation in the former and with zigzag-type clustering behavior preferred in the latter. Recalling the compositional analogy and identical crystal structure of the two metal phosphates, such unexpectedly distinct arrangement of the same type of point defects is a notable structural aspect.

    元の言語English
    記事番号195501
    ジャーナルPhysical Review Letters
    108
    発行部数19
    DOI
    出版物ステータスPublished - 2012 5 7

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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