High Thermoelectric Power Factor in Intermetallic Arising from Energy Filtering of Electrons by Phonon Scattering
Abstract
Intermetallic compounds are usually poor thermoelectrics due to the high electronic densities of states at the Fermi level and concomitantly low Seebeck coefficients. However, intermetallic B20-type CoSi has been experimentally shown to attain remarkably large negative values of the Seebeck coefficient. We provide a theoretical explanation for this surprising fact using state-of-the-art first-principles calculations with explicit treatment of electron-phonon interactions. We find that the unique band structure of CoSi, which has both massless and heavy fermion bands near the Fermi level, facilitates strong scattering of the low-energy electrons by phonons into the heavy band, resulting in effective energy filtering and high thermal voltage. Our study predicts that a very large thermoelectric power factor of 80 μ W cm-1 K-2 or higher is experimentally accessible in the 300–600 K range and highlights a general principle for identifying intermetallic compounds with large thermopower.
- Authors:
-
- Northwestern Univ., Evanston, IL (United States)
- Univ. of California, Los Angeles, CA (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Yale Univ., New Haven, CT (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1513124
- Alternate Identifier(s):
- OSTI ID: 1493859
- Report Number(s):
- LLNL-JRNL-759529
Journal ID: ISSN 2331-7019; PRAHB2; 947891
- Grant/Contract Number:
- AC52-07NA27344; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Applied
- Additional Journal Information:
- Journal Volume: 11; Journal Issue: 2; Journal ID: ISSN 2331-7019
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Xia, Y, Park, J, Zhou, F, and Ozolins, V. High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering. United States: N. p., 2019.
Web. doi:10.1103/PhysRevApplied.11.024017.
Xia, Y, Park, J, Zhou, F, & Ozolins, V. High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering. United States. https://doi.org/10.1103/PhysRevApplied.11.024017
Xia, Y, Park, J, Zhou, F, and Ozolins, V. Thu .
"High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering". United States. https://doi.org/10.1103/PhysRevApplied.11.024017. https://www.osti.gov/servlets/purl/1513124.
@article{osti_1513124,
title = {High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering},
author = {Xia, Y and Park, J and Zhou, F and Ozolins, V},
abstractNote = {Intermetallic compounds are usually poor thermoelectrics due to the high electronic densities of states at the Fermi level and concomitantly low Seebeck coefficients. However, intermetallic B20-type CoSi has been experimentally shown to attain remarkably large negative values of the Seebeck coefficient. We provide a theoretical explanation for this surprising fact using state-of-the-art first-principles calculations with explicit treatment of electron-phonon interactions. We find that the unique band structure of CoSi, which has both massless and heavy fermion bands near the Fermi level, facilitates strong scattering of the low-energy electrons by phonons into the heavy band, resulting in effective energy filtering and high thermal voltage. Our study predicts that a very large thermoelectric power factor of 80 μ W cm-1 K-2 or higher is experimentally accessible in the 300–600 K range and highlights a general principle for identifying intermetallic compounds with large thermopower.},
doi = {10.1103/PhysRevApplied.11.024017},
journal = {Physical Review Applied},
number = 2,
volume = 11,
place = {United States},
year = {Thu Feb 07 00:00:00 EST 2019},
month = {Thu Feb 07 00:00:00 EST 2019}
}
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