Minimum thermal conductivity in superlattices: A first-principles formalism
Abstract
The thermal conductivity of silicon-germanium superlattices is computed here from density-functional perturbation theory using relaxation times that include both anharmonic and interface roughness effects. A decrease in the group velocity of low-frequency phonons in addition to the interface-disorder-induced scattering of high-frequency phonons drives the superlattice thermal conductivity to below the alloy limit. At short periods, interplay between decrease in group velocity and increase in phonon lifetimes with increase in superlattice period leads to a minimum in the cross-plane thermal conductivity. Increasing the mass mismatch between the constituent materials in the superlattice further lowers the thermal conductivity below the alloy limit, pointing to avenues for higher efficiency thermoelectric materials.
- Authors:
-
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
- Publication Date:
- Research Org.:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1160689
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 87; Journal Issue: 14; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Garg, Jivtesh, and Chen, Gang. Minimum thermal conductivity in superlattices: A first-principles formalism. United States: N. p., 2013.
Web. doi:10.1103/PhysRevB.87.140302.
Garg, Jivtesh, & Chen, Gang. Minimum thermal conductivity in superlattices: A first-principles formalism. United States. https://doi.org/10.1103/PhysRevB.87.140302
Garg, Jivtesh, and Chen, Gang. Fri .
"Minimum thermal conductivity in superlattices: A first-principles formalism". United States. https://doi.org/10.1103/PhysRevB.87.140302. https://www.osti.gov/servlets/purl/1160689.
@article{osti_1160689,
title = {Minimum thermal conductivity in superlattices: A first-principles formalism},
author = {Garg, Jivtesh and Chen, Gang},
abstractNote = {The thermal conductivity of silicon-germanium superlattices is computed here from density-functional perturbation theory using relaxation times that include both anharmonic and interface roughness effects. A decrease in the group velocity of low-frequency phonons in addition to the interface-disorder-induced scattering of high-frequency phonons drives the superlattice thermal conductivity to below the alloy limit. At short periods, interplay between decrease in group velocity and increase in phonon lifetimes with increase in superlattice period leads to a minimum in the cross-plane thermal conductivity. Increasing the mass mismatch between the constituent materials in the superlattice further lowers the thermal conductivity below the alloy limit, pointing to avenues for higher efficiency thermoelectric materials.},
doi = {10.1103/PhysRevB.87.140302},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 14,
volume = 87,
place = {United States},
year = {Fri Apr 26 00:00:00 EDT 2013},
month = {Fri Apr 26 00:00:00 EDT 2013}
}
Web of Science
Figures / Tables:
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