First-principles characterization of thermal conductivity in LaPO4-based alloys

Published in Physical Review Applied, 2024

We characterize from first principles the vibrational properties and the thermal conductivity of LaPO4-based alloys, materials of interest as thermal-barrier coatings, accounting for both particle-like propagation and wave-like tunneling of heat carriers.

Recommended citation: A. Pazhedath, L. Bastonero, N. Marzari, and M. Simoncelli, First-principles characterization of thermal conductivity in LaPO4-based alloys, Phys. Rev. Applied 22, 024064 (2024).
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