Static and dynamic structures of liquid Ba8Ga16Sn30: A melt of the thermoelectric clathrate compounds

M. Inui, K. Suekuni, Y. Kajihara, S. Hosokawa, T. Takabatake, Y. Nakajima, K. Matsuda, K. Ohara, H. Uchiyama, S. Tsutsui

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X-ray diffraction and inelastic x-ray scattering measurements of liquid Ba8Ga16Sn30 have been carried out to investigate local structure and atomic dynamics in the liquid. The pair distribution function shows shorter and longer interatomic distances in the first coordination shell. The dynamic structure factor exhibits the inelastic excitations on both sides of the quasielastic central peak. The inelastic excitations disperse with increasing the momentum transfer, suggesting the longitudinal acoustic mode. We found a low energy excitation in addition to the longitudinal acoustic excitation in the dynamic structure factor and it reminds us a strong relationship with a rattling motion of a guest (Ba) atom in the solid state. The temperature dependence of the pair distribution function and the longitudinal acoustic excitation energy is very weak in a range from 600 to 900 °C. The result suggests that Ba and other atoms in the melt are located around minimum positions of the effective pair potential approximated as a harmonic one.

Original languageEnglish
Article number455101
JournalJournal of Physics Condensed Matter
Issue number45
Publication statusPublished - Oct 18 2018

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics


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