Dynamics of La and Ce filled xFe4Sb12 skutterudite structures

Author

Koza, M.M. ; Johnson, M.R. ; Viennois, Romain ; Mutka, Hannu ; Girard, Luc ; Ravot, Didier

Author_Institution

Inst. Laue Langevin, Grenoble

fYear

2006

fDate

6-10 Aug. 2006

Firstpage

70

Lastpage

73

Abstract

We have applied high-resolution neutron time-of-flight spectroscopy and ab initio lattice dynamics calculations to study the guest dynamics of La and Ce in the filled skutterudite system xFe₄Sb₁₂. Both the experiments and the calculation show that the guest dynamics is governed by collective vibrations, i.e. phonons. Unlike the case of localized rattlers the guest modes reveal dispersive character and a non-trivial Q-dependence of the signal intensity. The rather low-energy of the guest modes is due to their higher mass and weaker bonding with the host network

Keywords

ab initio calculations; cerium; iron compounds; lanthanum; lattice dynamics; thermal conductivity; time of flight spectra; vibrational modes; Fe₄Sb₁₂-Ce; Fe₄Sb₁₂-La; ab initio lattice dynamics calculations; collective vibrations; high resolution neutron time-of-flight spectroscopy; nontrivial Q-dependence; phonon vibrations; skutterudite structures; Acoustic scattering; Atom optics; Energy resolution; Glass; Lattices; Neutrons; Optical scattering; Phonons; Thermal conductivity; Thermoelectricity;

fLanguage

English

Publisher

ieee

Conference_Titel

Thermoelectrics, 2006. ICT '06. 25th International Conference on

Conference_Location

Vienna

ISSN

1094-2734

Print_ISBN

1-4244-0811-3

Electronic_ISBN

1094-2734

Type

conf

DOI

10.1109/ICT.2006.331272

Filename

4133238