Issue |
EPL
Volume 145, Number 4, February 2024
|
|
---|---|---|
Article Number | 46002 | |
Number of page(s) | 5 | |
Section | Condensed matter and materials physics | |
DOI | https://doi.org/10.1209/0295-5075/ad26b0 | |
Published online | 26 February 2024 |
Thermal transport in Yb-based 1-2-20 materials
Department of Physics, Lehigh University - Bethlehem, PA 18015, USA
Received: 16 December 2023
Accepted: 6 February 2024
Lattice thermal-transport properties of heavy-fermion YbT2Zn20-based (T = Co, Rh, and Ir) 1-2-20 compounds are calculated with the single-mode relaxation-time approximation and the full solution of the linearized phonon Boltzmann transport equation from first-principles anharmonic phonon calculations. We predict low lattice thermal conductivity κL with a maximum value of ∼24.16 ·K at 85.14 K, 137.29 ·K at 9.67 K, and 23.55 ·K at 67.50 K and ∼12.02, 40.04, and 10.30 ·K at room temperature for YbCo2Zn20, YbRh2Zn20, and YbIr2Zn20, respectively. Based on the analysis of the cumulative κL as a function of the phonon mean free path and the frequency-dependent joint density of states at various temperatures, we attribute the low κL to a rattling mode with an average characteristic rattling frequency that enhanced phonon scattering processes, which reduced the phonon mean free paths, suppressed the phonon lifetime, and enhanced the probability of three-phonon scattering events. The predicted low κL, especially in YbCo2Zn20 and YbIr2Zn20, makes them promising candidate materials for thermoelectric applications and thermal management.
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