Significant phase-space-driven thermal transport suppression in BC8 silicon

Liu, Junyan; Strobel, Timothy A.; Zhang, Haidong; Abernathy, Douglas L.; Li, Chen; Hong, Jiawang

doi:10.1016/j.mtphys.2021.100566

Significant phase-space-driven thermal transport suppression in BC8 silicon

Journal Article · Fri Oct 29 00:00:00 EDT 2021 · Materials Today Physics

DOI:https://doi.org/10.1016/j.mtphys.2021.100566· OSTI ID:1844858

Liu, Junyan ^[1]; Strobel, Timothy A. ^[2]; Zhang, Haidong ^[2]; ^[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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE; National Natural Science Foundation of China (NSFC); Beijing Natural Science Foundation; National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1844858

Journal Information:: Materials Today Physics, Journal Name: Materials Today Physics Vol. 21; ISSN 2542-5293

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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