Phonon DOS of filled skutterudite, Ba0.1CoSb3

T. Kajitani, Y. Ono, Y. Miyazaki, M. Sluiter, L. Chen, T. Goto, Y. Kawazoe

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

2 Citations (Scopus)


Phonon DOS of Ba-filled skutterudite, Ba0.1CoSb3, is observed at the energy resolution of 0.1meV(FWHM) by means of cold neutron incoherent scattering technique. 5meV shoulder and three new peaks appear at about 12, 15 and 18meV relative to the unfilled sample. Three peaks are interpreted as Einstein-type local excitation modes of Ba-atoms based on the all-electron first-principle band calculation. But the origin of the 5meV shoulder is not understood from present calculation. Structural relaxation of the filled skutterudite is performed during the calculation. The space symmetry of the relaxed lattice is consistent with the Pm-3-type and the cobalt and antimony positions appreciably shift by the barium introduction.

Original languageEnglish
Title of host publicationProceedings ICT 2003 - 22nd International Conference on Thermoelectrics
PublisherInstitute of Electrical and Electronics Engineers Inc.
Number of pages4
ISBN (Electronic)078038301X
Publication statusPublished - 2003
Event22nd International Conference on Thermoelectrics, ICT 2003 - La Grande Motte, France
Duration: 2003 Aug 172003 Aug 21

Publication series

NameInternational Conference on Thermoelectrics, ICT, Proceedings


Other22nd International Conference on Thermoelectrics, ICT 2003
CityLa Grande Motte


  • Barium
  • Cobalt
  • Electrons
  • Impurities
  • Lattices
  • Neutrons
  • Optical scattering
  • Phonons
  • Powders
  • Thermal conductivity

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electrical and Electronic Engineering


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