About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
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Symposium
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Alloys and Compounds for Thermoelectric and Solar Cell Applications X
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Presentation Title |
Uncovering Design Principles for Amorphous-like Heat Conduction Using Two-channel Lattice Dynamics |
Author(s) |
Raphael Hermann, Riley Hanus, Michael E Manley, Janine George |
On-Site Speaker (Planned) |
Raphael Hermann |
Abstract Scope |
Neutron scattering and atomic dynamics simulations reveal that complex crystals can conduct heat like a glass through diffusive quantum hopping. A crossover in conduction from the conventional phonon-gas channel to the unusual diffuson channel occurs near room temperature in Yb14MnSb11, a complex Zintl phase with outstanding thermoelectric properties at high temperature. Following a recently developed framework which quantifies how mode overlap forces heat conduction through the diffuson channel[1], i.e., diffusive quantum energy hopping we show that the diffuson channel can overwhelm the phonon-gas channel thermal transport. Inelastic neutron scattering reveals the extent of mode overlap and validates lattice dynamics calculations. Our findings[2] suggest mechanisms to down tune the diffuson channel by controlling mode overlap through crystal chemistry and varying the atomic masses.
[1]Simoncelli et al., DOI: 10.1038/s41567-019-0520-x (2019).
[2]Hanus et al., DOI: 10.1016/j.mtphys.2021.100344 (2021). |
Proceedings Inclusion? |
Planned: |
Keywords |
Other, Electronic Materials, Modeling and Simulation |