Phonon DOS of filled skutterudite, Ba0.1CoSb3

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

doi:10.1109/ICT.2003.1287454

Phonon DOS of filled skutterudite, Ba_0.1CoSb₃

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

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

2 Citations (Scopus)

Abstract

Phonon DOS of Ba-filled skutterudite, Ba_0.1CoSb₃, 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 language	English
Title of host publication	Proceedings ICT 2003 - 22nd International Conference on Thermoelectrics
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	81-84
Number of pages	4
ISBN (Electronic)	078038301X
DOIs	https://doi.org/10.1109/ICT.2003.1287454
Publication status	Published - 2003
Event	22nd International Conference on Thermoelectrics, ICT 2003 - La Grande Motte, France Duration: 2003 Aug 17 → 2003 Aug 21

Publication series

Name	International Conference on Thermoelectrics, ICT, Proceedings
Volume	2003-January

Other

Other	22nd International Conference on Thermoelectrics, ICT 2003
Country/Territory	France
City	La Grande Motte
Period	03/8/17 → 03/8/21

Keywords

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

ASJC Scopus subject areas

Condensed Matter Physics
Electrical and Electronic Engineering

Access to Document

10.1109/ICT.2003.1287454

Cite this

Kajitani, T., Ono, Y., Miyazaki, Y., Sluiter, M., Chen, L., Goto, T., & Kawazoe, Y. (2003). Phonon DOS of filled skutterudite, Ba_0.1CoSb₃ In Proceedings ICT 2003 - 22nd International Conference on Thermoelectrics (pp. 81-84). [1287454] (International Conference on Thermoelectrics, ICT, Proceedings; Vol. 2003-January). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/ICT.2003.1287454

Phonon DOS of filled skutterudite, Ba_0.1CoSb₃ . / Kajitani, T.; Ono, Y.; Miyazaki, Y. et al.

Proceedings ICT 2003 - 22nd International Conference on Thermoelectrics. Institute of Electrical and Electronics Engineers Inc., 2003. p. 81-84 1287454 (International Conference on Thermoelectrics, ICT, Proceedings; Vol. 2003-January).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kajitani, T, Ono, Y, Miyazaki, Y, Sluiter, M, Chen, L, Goto, T & Kawazoe, Y 2003, Phonon DOS of filled skutterudite, Ba_0.1CoSb₃ in Proceedings ICT 2003 - 22nd International Conference on Thermoelectrics., 1287454, International Conference on Thermoelectrics, ICT, Proceedings, vol. 2003-January, Institute of Electrical and Electronics Engineers Inc., pp. 81-84, 22nd International Conference on Thermoelectrics, ICT 2003, La Grande Motte, France, 03/8/17. https://doi.org/10.1109/ICT.2003.1287454

Kajitani T, Ono Y, Miyazaki Y, Sluiter M, Chen L, Goto T et al. Phonon DOS of filled skutterudite, Ba_0.1CoSb₃ In Proceedings ICT 2003 - 22nd International Conference on Thermoelectrics. Institute of Electrical and Electronics Engineers Inc. 2003. p. 81-84. 1287454. (International Conference on Thermoelectrics, ICT, Proceedings). doi: 10.1109/ICT.2003.1287454

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abstract = "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.",

keywords = "Barium, Cobalt, Electrons, Impurities, Lattices, Neutrons, Optical scattering, Phonons, Powders, Thermal conductivity",

author = "T. Kajitani and Y. Ono and Y. Miyazaki and M. Sluiter and L. Chen and T. Goto and Y. Kawazoe",

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AB - 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.

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