Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals
Abstract
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.
- Authors:
-
- Purdue Univ., West Lafayette, IN (United States); Chinese Academy of Sciences (CAS), Shenyang (China)
- Purdue Univ., West Lafayette, IN (United States); Shenzhen Univ. (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Chinese Academy of Sciences (CAS), Shenyang (China)
- Purdue Univ., West Lafayette, IN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- OSTI Identifier:
- 1631233
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 11; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING
Citation Formats
Luo, Yixiu, Yang, Xiaolong, Feng, Tianli, Wang, Jingyang, and Ruan, Xiulin. Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals. United States: N. p., 2020.
Web. doi:10.1038/s41467-020-16371-w.
Luo, Yixiu, Yang, Xiaolong, Feng, Tianli, Wang, Jingyang, & Ruan, Xiulin. Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals. United States. https://doi.org/10.1038/s41467-020-16371-w
Luo, Yixiu, Yang, Xiaolong, Feng, Tianli, Wang, Jingyang, and Ruan, Xiulin. Fri .
"Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals". United States. https://doi.org/10.1038/s41467-020-16371-w. https://www.osti.gov/servlets/purl/1631233.
@article{osti_1631233,
title = {Vibrational hierarchy leads to dual-phonon transport in low thermal conductivity crystals},
author = {Luo, Yixiu and Yang, Xiaolong and Feng, Tianli and Wang, Jingyang and Ruan, Xiulin},
abstractNote = {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.},
doi = {10.1038/s41467-020-16371-w},
journal = {Nature Communications},
number = 1,
volume = 11,
place = {United States},
year = {Fri May 22 00:00:00 EDT 2020},
month = {Fri May 22 00:00:00 EDT 2020}
}
Web of Science
Figures / Tables:
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