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Report No.
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Neutron scattering study on rattling in filled-skutterudite compounds

Kaneko, Koji; Matsuda, Tatsuma; Kimura, Hiroyuki*; Noda, Yukio; Metoki, Naoto; Momma, Koichi*; Izumi, Fujio*

Recently, a large-amplitude thermal vibration of a guest ion inside an oversized cage, called rattling, is considered to play a vital role for unconventional physical properties in $$cage$$ $$compounds$$. A precise single-crystal neutron diffraction and a maximum-entropy analysis are powerful method to reveal unconventional motion of rattling ions; this combination enables us a model-independent analysis to obtain an time-averaged picture of rattling motion in real space. Widely distributed anisotropic nuclear densities of $$R$$ in the Sb icosahedron cage were revealed in PrOs$$_4$$Sb$$_{12}$$, NdOs$$_4$$Sb$$_{12}$$ and PrRu$$_4$$Sb$$_{12}$$ at room temperature. Note that a substantial difference was found in a distribution of rattling ions between $$RT_4$$Sb$$_{12}$$ with $$T$$=Os and Ru. The difference between $$RT_4$$Sb$$_{12}$$ with $$T$$=Os and Ru implies that the size mismatch is not a necessary and sufficient condition for anharmonicity, and may related to the cage type in skutterudites.

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