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Neutron scattering study of short-range correlations and ionic diffusion in copper selenide

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Abstract

The paper reports the results of a neutron scattering study of \( {\hbox{C}}{{\hbox{u}}_{{2 - \delta }}}{\hbox{Se}} \) superionic compounds. The crystallographic model fitted to the diffraction data shows the occupation of 8c and 32f sites by Cu atoms. Observed diffuse background is related to correlated thermal vibrations of Se and Cu atoms, with Se↔Cu (8c,32f) and Cu (8c)↔Cu (8c) correlations being most important. The quasi-elastic neutron experiments show the decrease of the self-diffusion coefficient with the deviation from the stoichiometry due to the longer residence time of Cu ions between diffusion hops. Combination of neutron diffraction, diffuse scattering and quasi-elastic scattering experimental data suggests that the Cu atoms diffuse between the nearest 8c sites through the 32f sites.

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Acknowledgement

This work was supported by the Australian Research Council-Discovery Projects (DP0984525). The authors acknowledge for the provision of beam time from ANSTO (Australia) and Helmholtz-Zentrum Berlin (Germany).

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Authors and Affiliations

  1. Bragg Institute, Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC NSW 2232, New Illawarra Road, Lucas Heights, Australia

    S. A. Danilkin & M. Avdeev

  2. Institute of Applied Beam Science, Ibaraki University, Bunkyo 2-1-1, Mito, 310-8512, Japan

    T. Sakuma

  3. School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia

    R. Macquart & C. D. Ling

  4. Helmholtz-Zentrum Berlin for Materials and Energy, 14109, Berlin, Germany

    M. Rusina & Z. Izaola

Authors
  1. S. A. Danilkin
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  2. M. Avdeev
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  3. T. Sakuma
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  4. R. Macquart
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  5. C. D. Ling
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  6. M. Rusina
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  7. Z. Izaola
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Correspondence to S. A. Danilkin.

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Danilkin, S.A., Avdeev, M., Sakuma, T. et al. Neutron scattering study of short-range correlations and ionic diffusion in copper selenide. Ionics 17, 75–80 (2011). https://doi.org/10.1007/s11581-010-0489-z

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  • DOI: https://doi.org/10.1007/s11581-010-0489-z

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