Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation

Romano, Giuseppe; Esfarjani, Keivan; Strubbe, David A.; Broido, David; Kolpak, Alexie M.

doi:10.1103/PhysRevB.93.035408

Title: Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation

Journal Article · Tue Jan 05 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.035408· OSTI ID:1371447

Romano, Giuseppe ^[1]; Esfarjani, Keivan ^[2]; Strubbe, David A. ^[3]; Broido, David ^[4]; Kolpak, Alexie M. ^[3]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Boston College, Chestnut Hill, MA (United States)
Rutgers Univ., Piscataway, NJ (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Boston College, Chestnut Hill, MA (United States)

Nanostructured materials show low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of phonons, MFP distributions in nanostructures can be dramatically distorted relative to bulk. Here we calculate the MFP distribution in periodic nanoporous Si for different temperatures, using the recently developed MFP-dependent Boltzmann transport equation. After analyzing the relative contribution of each phonon branch to thermal transport in nanoporous Si, we find that at room temperature optical phonons contribute 17 % to heat transport, compared to 5 % in bulk Si. Interestingly, we observe a constant thermal conductivity over the range 200 K < T < 300 K . Furthermore, we attribute this behavior to the ballistic transport of acoustic phonons with long intrinsic MFP and the temperature dependence of the heat capacity. Our findings, which are in qualitative agreement with the temperature trend of thermal conductivities measured in nanoporous Si-based systems, shed light on the origin of the reduction of thermal conductivity in nanostructured materials and demonstrate the necessity of multiscale heat transport engineering, in which the bulk material and geometry are optimized concurrently.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0001299; FG02-09ER46577; DESC0001299

OSTI ID:: 1371447

Alternate ID(s):: OSTI ID: 1234135

Journal Information:: Physical Review B, Vol. 93, Issue 3; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 38 works

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References (25)

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Cited By (4)

Investigation of thermal conduction in symmetric and asymmetric nanoporous structures Yu, Ziqi; Ferrer-Argemi, Laia; Lee, Jaeho Journal of Applied Physics, Vol. 122, Issue 24 https://doi.org/10.1063/1.5006818	journal	December 2017
Perspective on ab initio phonon thermal transport Lindsay, Lucas; Katre, Ankita; Cepellotti, Andrea Journal of Applied Physics, Vol. 126, Issue 5 https://doi.org/10.1063/1.5108651	journal	August 2019
Phonon hydrodynamics in frequency-domain thermoreflectance experiments Beardo, A.; Hennessy, M. G.; Sendra, L. Physical Review B, Vol. 101, Issue 7 https://doi.org/10.1103/physrevb.101.075303	journal	February 2020
First-principles dynamics of electrons and phonons* Bernardi, Marco The European Physical Journal B, Vol. 89, Issue 11 https://doi.org/10.1140/epjb/e2016-70399-4	journal	November 2016

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