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arxiv 2006.12747 v1 pith:GTOUP2BO submitted 2020-06-23 cond-mat.mtrl-sci

Phonon Scattering Mechanism in Thermoelectric Materials Revised via Resonant X-ray Dynamical Diffraction

classification cond-mat.mtrl-sci
keywords thermoelectricmaterialsconductiondiffractiondynamicallargelatticemechanism
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Engineering of thermoelectric materials requires an understanding of thermal conduction by lattice and electronic degrees of freedom. Filled skutterudites denote a large family of materials suitable for thermoelectric applications where reduced lattice thermal conduction attributed to localized low-frequency vibrations (rattling) of filler cations inside large cages of the structure. In this work, a multi-wavelength method of exploiting X-ray dynamical diffraction in single crystals of CeFe$_4$P$_{12}$ is presented and applied to resolve the atomic amplitudes of vibrations. The results suggest that the vibrational dynamics of the whole filler-cage system is the actual active mechanism behind the optimization of thermoelectric properties.

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