Splitting of guest atom sites and lattice thermal conductivity in Ba-Ga-Ge clathrate compounds

Norihiko L. Okamoto, Katsushi Tanaka, Haruyuki Inui

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

1 Citation (Scopus)


The crystal structures of some type-I and -III clathrate compounds in the Ba-Ga-Ge system have been investigated by synchrotron X-ray powder diffraction at room temperature, paying special attention to the changes of the cage structure and the splitting behavior at the guest atom site upon alloying with Ga. For both types of the clathrate compounds, the split distance of the Ba(2) sites increases with the increase in the Ga content, corresponding to the change in the size and shape of the encapsulating polyhedral cage. Lattice thermal conductivity at room temperature has a positive correlation with the atomic displacement parameter (ADPsplit) based on the split-site model but has an inverse correlation with the split distance of the Ba(2) sites, indicating that a dominant factor of reducing the lattice thermal conductivity is not thermal vibration at the split sites but thermal jump among the split sites.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Number of pages6
Publication statusPublished - 2006 May 8
Externally publishedYes
Event2005 Materials Research Society Fall Meeting - Boston, MA, United States
Duration: 2005 Nov 282005 Dec 1

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2005 Materials Research Society Fall Meeting
Country/TerritoryUnited States
CityBoston, MA

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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