Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores

Ponnusamy Nachimuthu, Suntharampillai Thevuthasan, Evan M. Adams, William J. Weber, Bruce D. Begg, Bongjin S. Mun, David K. Shun, Dennis W. Lindle, Eric M. Gullikson, Rupert C.C. Perera

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    Abstract

    Disorder in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores, for y = 0.0-1.0, is investigated by Ti 2p and O 1s near-edge X-ray absorption fine structure spectroscopy. Ti 4+ ions are found to occupy octahedral sites in Gd 2Ti 2O 7 with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal distortion decreases, and Zr coordination increases from 6 to 8. The migration of oxygen ions from 48f or 8b sites to vacant 8a sites compensate for the increased Zr coordination, thereby reducing the number of vacant 8a sites, which further reduces the tetragonal distortion and introduces more disorder around Ti. This is evidence for simultaneous cation disorder with anion migration.

    Original languageEnglish
    Pages (from-to)1337-1339
    Number of pages3
    JournalJournal of Physical Chemistry B
    Volume109
    Issue number4
    DOIs
    Publication statusPublished - 3 Feb 2005

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    ASJC Scopus subject areas

    • Physical and Theoretical Chemistry
    • Surfaces, Coatings and Films
    • Materials Chemistry

    Cite this

    Nachimuthu, P., Thevuthasan, S., Adams, E. M., Weber, W. J., Begg, B. D., Mun, B. S., Shun, D. K., Lindle, D. W., Gullikson, E. M., & Perera, R. C. C. (2005). Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores. Journal of Physical Chemistry B, 109(4), 1337-1339. https://doi.org/10.1021/jp0447789