Rattling Behavior in a Simple Perovskite NaWO<sub>3</sub>

DOI Web Site 研究データあり 被引用文献1件 参考文献45件
  • Yuya Ikeuchi
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
  • Hiroshi Takatsu
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
  • Cédric Tassel
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
  • Craig M. Brown
    Center for Neutron Research National Institute of Standards and Technology Gaithersburg, Maryland 20899, United States
  • Taito Murakami
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
  • Yuki Matsumoto
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
  • Yoshihiko Okamoto
    Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan
  • Hiroshi Kageyama
    Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan

書誌事項

公開日
2019-04-29
資源種別
journal article
権利情報
  • https://doi.org/10.15223/policy-029
  • https://doi.org/10.15223/policy-037
  • https://doi.org/10.15223/policy-045
DOI
  • 10.1021/acs.inorgchem.9b00248
公開者
American Chemical Society (ACS)

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説明

Rattling phenomena have been observed in materials characterized by a large cage structure but not in a simple ABO3-type perovskite because the size mismatch, if it exists, can be relieved by octahedral rotations. Here, we demonstrate that a stoichiometric perovskite oxide NaWO3, prepared under high pressure, exhibits anharmonic phonon modes associated with low-energy rattling vibrations, leading to suppressed thermal conductivity. The structural analysis and the comparison with the ideal perovskite KWO3 without rattling behavior reveal that the presence of two crystallographic Na1 (2 a) and Na2 (6 b) sites in NaWO3 (space group Im3) accompanied by three in-phase WO6 octahedral (a+a+a+) rotations generates an open space Δ ∼ 0.5 A for the latter site, which is comparable with those of well-known cage compounds of clathrates and filled skutterudites. The observed rattling in NaWO3 is distinct from a quadruple perovskite AA'3B4O12 (A, A': transition metals) where the A (2 a) site with lower multiplicity is the rattler. The present finding offers a general guide to induce rattling of atoms in pristine ABO3 perovskites.

収録刊行物

  • Inorganic Chemistry

    Inorganic Chemistry 58 (10), 6790-6795, 2019-04-29

    American Chemical Society (ACS)

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