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Variation in the Einstein Temperature of Guest Atoms in Ba-Ge-X type-III Clathrate Compounds

Published online by Cambridge University Press:  01 February 2011

Katsushi Tanaka ,
Jung-Hwan Kim ,
Kyosuke Kishida  and
Haruyuki Inui
Katsushi Tanaka
Affiliation:
katsushi-tanaka@mtl.kyoto-u.ac.jp, Kyoto University, Materials Science and Engineering, Yoshidahon-machi, Sakyo-ku, Kyoto, 606-8501, Japan, +81-75-753-5461, +81-75-753-5461
Jung-Hwan Kim
Affiliation:
jhkim@materials.mbox.media.kyoto-u.ac.jp, Kyoto University, Materials Science and Engineering, Yoshidahon-machi, Sakyo-ku, Kyoto, 606-8501, Japan
Kyosuke Kishida
Affiliation:
k.kishida@materials.mbox.media.kyoto-u.ac.jp, Kyoto University, Materials Science and Engineering, Yoshidahon-machi, Sakyo-ku, Kyoto, 606-8501, Japan
Haruyuki Inui
Affiliation:
haruyuki.inui@materials.mbox.media.kyoto-u.ac.jp, Kyoto University, Materials Science and Engineering, Yoshidahon-machi, Sakyo-ku, Kyoto, 606-8501, Japan
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Abstract

Einstein temperatures of guest atoms in Ba-Ge-(Al, In) type-III clathrate compounds have been estimated from the temperature dependence of the atomic displacement parameters determined by synchrotron X-ray powder diffractions. The lowest temperature is obtained for the vibration of Ba(2) atoms along the x-direction, which corresponds to the “rattling motion” of the guest atoms in the compounds. The temperature estimated is significantly low of about 50 K, which agrees with the fact that the compounds have small lattice thermal conductivities of about 0.6 W/mK. Though the lattice thermal conductivity of Ba24Ge88Al12 is larger than that of Ba24Ge88In12, the Einstein temperature of Ba24Ge88Al12 is slightly smaller than that of Ba24Ge88In12. This discrepancy can be explained by the consideration of higher Debye temperature of Ba24Ge88Al12 than that of Ba24Ge88In12, that is, lattice thermal conductivity without “rattling motion” is larger for Ba24Ge88Al12 than that for Ba24Ge88In12.

Keywords

thermoelectricitythermal conductivityx-ray diffraction (XRD)
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1044: Symposium U – Thermoelectric Power Generation , 2007 , 1044-U06-08
Copyright
Copyright © Materials Research Society 2008

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