Crystal structure and atomic vibration of Ba-Ge based type-III clathrate compounds

Jung Hwan Kim, Norihiko L. Okamoto, Kyosuke Kishida, Katsushi Tanaka, Haruyuki Inui

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Crystal structures of type-III clathrate compounds Ba24B IIIXGe100-x, where BIII is Al and In have been investigated by synchrotron X-ray powder diffraction as functions of Al and In content and temperature, paying special attention to the changes of the cage structure and thermal vibration behavior of framework and guest atoms. The Debye and Einstein temperatures of type-III clathrate compounds are respectively determined from the temperature dependence of atomic displacement parameters (ADPs) of framework and guest atoms. The localized vibration of guest atoms in type-III clathrate compounds is evidenced by the low Einstein temperature for Ba(2) atom in open-dodecahedron. The lattice thermal conductivity of type-III clathrate compounds is discussed in terms of the rattling frequency of guest atom with comparing to that reported for type-I clathrate compounds.

Original languageEnglish
Title of host publicationProceedings ICT'07 - 26th International Conference on Thermoelectrics
Pages215-218
Number of pages4
DOIs
Publication statusPublished - 2007 Dec 1
Externally publishedYes
EventICT'07 - 26th International Conference on Thermoelectrics - Jeju, Korea, Republic of
Duration: 2007 Jun 32007 Jun 7

Publication series

NameInternational Conference on Thermoelectrics, ICT, Proceedings

Other

OtherICT'07 - 26th International Conference on Thermoelectrics
CountryKorea, Republic of
CityJeju
Period07/6/307/6/7

ASJC Scopus subject areas

  • Engineering(all)

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    Kim, J. H., Okamoto, N. L., Kishida, K., Tanaka, K., & Inui, H. (2007). Crystal structure and atomic vibration of Ba-Ge based type-III clathrate compounds. In Proceedings ICT'07 - 26th International Conference on Thermoelectrics (pp. 215-218). [4569462] (International Conference on Thermoelectrics, ICT, Proceedings). https://doi.org/10.1109/ICT.2007.4569462