Significant phase-space-driven thermal transport suppression in BC8 silicon
Abstract
The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. Further, they significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.
- Authors:
-
[3];
[4];
[1]
- Beijing Institute of Technology (China)
- Carnegie Institution for Science, Earth and Planets Laboratory, Washington, DC (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of California, Riverside, CA (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE; National Natural Science Foundation of China (NSFC); Beijing Natural Science Foundation; National Science Foundation (NSF)
- OSTI Identifier:
- 1844858
- Grant/Contract Number:
- AC05-00OR22725; 1217021241; Z190011; 1750786; 1809756
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Materials Today Physics
- Additional Journal Information:
- Journal Volume: 21; Journal ID: ISSN 2542-5293
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Silicon allotrope; Lattice thermal conductivity; Inelastic neutron scattering measurements; First-principles calculations
Citation Formats
Liu, Junyan, Strobel, Timothy A., Zhang, Haidong, Abernathy, Douglas L., Li, Chen, and Hong, Jiawang. Significant phase-space-driven thermal transport suppression in BC8 silicon. United States: N. p., 2021.
Web. doi:10.1016/j.mtphys.2021.100566.
Liu, Junyan, Strobel, Timothy A., Zhang, Haidong, Abernathy, Douglas L., Li, Chen, & Hong, Jiawang. Significant phase-space-driven thermal transport suppression in BC8 silicon. United States. https://doi.org/10.1016/j.mtphys.2021.100566
Liu, Junyan, Strobel, Timothy A., Zhang, Haidong, Abernathy, Douglas L., Li, Chen, and Hong, Jiawang. Fri .
"Significant phase-space-driven thermal transport suppression in BC8 silicon". United States. https://doi.org/10.1016/j.mtphys.2021.100566. https://www.osti.gov/servlets/purl/1844858.
@article{osti_1844858,
title = {Significant phase-space-driven thermal transport suppression in BC8 silicon},
author = {Liu, Junyan and Strobel, Timothy A. and Zhang, Haidong and Abernathy, Douglas L. and Li, Chen and Hong, Jiawang},
abstractNote = {The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. Further, they significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.},
doi = {10.1016/j.mtphys.2021.100566},
journal = {Materials Today Physics},
number = ,
volume = 21,
place = {United States},
year = {Fri Oct 29 00:00:00 EDT 2021},
month = {Fri Oct 29 00:00:00 EDT 2021}
}
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