Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals

DOI

Many low-thermal-conductivity (κL) crystals show intriguing temperature (T) dependence of κL: κL∝T-1 (crystal-like) at intermediate temperatures whereas weak T-dependence (glass-like) at high temperatures. It has been in debate whether thermal transport can still be described by phonons at the Ioffe-Regel limit. In this work, we propose that most phonons are still well defined for thermal transport, whereas they carry heat via dual channels: "normal" phonons described by the Boltzmann transport equation theory and "diffuson-like" phonons described by the diffusion theory. Three physics-based criteria are incorporated into first-principles calculations to judge mode-by-mode between the two phonon channels. Case studies on La2Zr2O7 and Tl3VSe4 show that normal phonons dominate low temperatures while diffuson-like phonons dominate high temperatures. Our present dual-phonon theory enlightens the physics of hierarchical phonon transport as approaching the Ioffe-Regel limit, and provides a numerical method that should be practically applicable to many materials with vibrational hierarchy.

Identifier
DOI https://doi.org/10.24435/materialscloud:2020.0036/v1
Related Identifier https://doi.org/10.1038/s41467-020-16371-w
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:9y-jp
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:361
Provenance
Creator Luo, Yixiu; Yang, Xiaolong; Feng, Tianli; Wang, Jingyang; Ruan, Xiulin
Publisher Materials Cloud
Contributor Luo, Yixiu
Publication Year 2020
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/plain; application/zip; text/markdown
Discipline Materials Science and Engineering