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Hyperfine Parameters of η′-Cu6Sn5 and Li2CuSn

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Abstract

η′-Cu6Sn5, a suggested anode material in Li-ion batteries, has been studied by 119Sn Mössbauer spectroscopy together with the lithiated phase Li2CuSn. Full-potential electronic structure calculations were carried out using full potential LAPW (linearized augmented plane wave) within the local density approximation. The calculated hyperfine parameters, isomer shift and electric quadrupole splitting, were compared to the experimental. In presence of more than one Sn-site, the theoretical values provide a good starting guess to fit a single Mössbauer absorption peak to different sites.

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Authors and Affiliations

  1. Department of Physics, Ångström Laboratory, Uppsala University, Box 530, 751 21, Uppsala, Sweden

    E. Nordström, S. Sharma, E. Sjöstedt, L. Häggström & L. Nordström

  2. Department of Materials Chemistry, Ångström Laboratory, Uppsala University, Box 538, 751 21, Uppsala, Sweden

    L. Fransson & K. Edström

Authors
  1. E. Nordström
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  2. S. Sharma
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  3. E. Sjöstedt
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  4. L. Fransson
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  5. L. Häggström
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  6. L. Nordström
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  7. K. Edström
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Nordström, E., Sharma, S., Sjöstedt, E. et al. Hyperfine Parameters of η′-Cu6Sn5 and Li2CuSn. Hyperfine Interactions 136, 555–560 (2001). https://doi.org/10.1023/A:1020531026013

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