Correlated Rattling of Sodium‐Chains Suppressing Thermal Conduction in Thermoelectric Stannides

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  • Yamada, Takahiro
    Institute of Multidisciplinary Research for Advanced Material, Tohoku University; PRESTO, Japan Science and Technology Agency
  • Yoshiya, Masato
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
  • Kanno, Masahiro
    Institute of Multidisciplinary Research for Advanced Material, Tohoku University; Department of Metallurgy, Materials Science and Materials Processing, Graduate School of Engineering, Tohoku University
  • Takatsu, Hiroshi
    Graduate School of Engineering, Kyoto University
  • Ikeda, Takuji
    Research Institute for Chemical Process Technology, National Institute of Advanced Industrial Science and Technology (AIST Tohoku)
  • Nagai, Hideaki
    Research Institute for Energy Conservation, National Institute of Advanced Industrial Science and Technology (AIST)
  • Yamane, Hisanori
    Institute of Multidisciplinary Research for Advanced Material, Tohoku University
  • Kageyama, Hiroshi
    Graduate School of Engineering, Kyoto University

Abstract

Tin-based intermetallics with tunnel frameworks containing zigzag Na chains that excite correlated rattling impinging on the framework phonons are attractive as thermoelectric materials owing to their low lattice thermal conductivity. The correlated rattling of Na atoms in the zigzag chains and the origin of the low thermal conductivity is uncovered via experimental and computational analyses. The Na atoms behave as oscillators along the tunnel, resulting in substantial interactions between Na atoms in the chain and between the chain and framework. In these intermetallic compounds, a shorter inter-rattler distance results in lower thermal conductivity, suggesting that phonon scattering by the correlated rattling Na-chains is enhanced. These results provide new insights into the behavior of thermoelectric materials with low thermal conductivity and suggest strategies for the development of such materials that utilize the correlated rattling.

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