Effect of the dimensionality on the lattice dynamics and anharmonicity of thermoelectric silicides
We propose to investigate the lattice dynamics and the anharmonicity of CrSi2 and CoSi bulk and nanostructured alloys, and to understand the effect of the dimensionality on the phonon density of state and on the phonon scattering. Recently, previous studies on nanostructured Si and other thermoelectric materials have shown a strong increase of low energy vibrational modes through nanostructuration which should have large impact on thermal conductivity and it will be interesting to investigate other silicide compounds with large Debye temperature to confirm the universality of this behavior and better understand it. So far, despite its quite interesting properties for thermoelectric applications, CrSi2 has never been studied by inelastic neutron scattering and CoSi only under its bulk form. The results will be compared with ab-initio lattice dynamic calculation. The study of the temperature dependence will permit to determine how strong is the anharmonicity and to compare it with the effect of the nanostructuration.
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BEAUDHUIN Mickael; KOZA Michael Marek; MOLL Adrien and VIENNOIS Romain. (2018). Effect of the dimensionality on the lattice dynamics and anharmonicity of thermoelectric silicides. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-01-465
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