Issue |
Europhys. Lett.
Volume 75, Number 1, July 2006
|
|
---|---|---|
Page(s) | 153 - 159 | |
Section | Condensed matter: electronic structure, electrical, magnetic, and optical properties | |
DOI | https://doi.org/10.1209/epl/i2006-10078-8 | |
Published online | 07 June 2006 |
Vibrational properties and superconductivity in
1
Department of Physics and Engineering Physics, University of Saskatchewan Saskatoon, S7N 5E2 Canada
2
Computational Astrophysics Laboratory, RIKEN - 2-1 Hirosawa Wako, Saitama, 351-0198, Japan
3
Institute of Nuclear Physics, Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Cracow, Poland
Received:
20
March
2006
Accepted:
10
May
2006
The vibrational spectrum for the type-III Si-clathrate
has been computed from first principles electronic structure method. It is
shown that the
vibrations are strongly hybridized with the host lattice
in the cages formed by coordinately unsaturated Si. The electron-phonon
coupling spectral function calculated from zone center phonons indicates
that electron-phonon interaction is stronger for low-frequency
vibrations
in the loosely enclathrated cages than those in the more tightly fitted
cages. A similar trend was also observed in the related
and
systems. The results show that low-frequency
rattling vibrations of the
atoms are very efficient in mediating electron-phonon
coupling in the superconductivity behaviour of these novel materials.
PACS: 74.25.Kc – Phonons / 74.25.Fy – Transport properties (electric and thermal conductivity, thermoelectric effects, etc.) / 74.10.+v – Occurrence, potential candidates
© EDP Sciences, 2006
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