Issue |
Europhys. Lett.
Volume 56, Number 2, October 2001
|
|
---|---|---|
Page(s) | 261 - 267 | |
Section | Condensed matter: structural, mechanical and thermal properties | |
DOI | https://doi.org/10.1209/epl/i2001-00515-8 | |
Published online | 01 December 2003 |
Phonon band structures and resonant scattering
in
and
clathrates
Steacie Institute for Molecular Sciences,
National Research Council of Canada
Ottawa, Ontario, Canada K1A 0R6
Received:
19
March
2001
Accepted:
26
July
2001
The low and glasslike thermal conductivity of metal-doped semiconductor
clathrate compounds makes them potentially high-efficiency thermoelectric
materials. The cause of this unique and remarkable property has been
postulated to be due to resonant scattering of lattice phonons by localized
vibrations of the dopants. We present theoretical evidence in support of
this hypothesis through the analysis of electronic and vibrational
interactions between dopant atoms with the host framework. In particular,
the contrasting behavior of two clathrates: the glasslike thermal
conductivity in and the normal behavior in
can be rationalized.
PACS: 63.20.-e – Phonons in crystal lattices / 71.20.-b – Electron density of states and band structure of crystalline solids / 72.10.-d – Theory of electronic transport; scattering mechanisms
© EDP Sciences, 2001
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