Structural and thermal properties of ultralow thermal conductivity Ba3Cu2Sn3Se10
Abstract
The thermal properties of Ba3Cu2Sn3Se10 were investigated by measurement of the thermal conductivity and heat capacity. The chemical bonding in this diamagnetic material was investigated using structural data from Rietveld refinement and calculated electron localization. This quaternary chalcogenide is monoclinic (P21/c), has a large unit cell with 72 atoms in the primitive cell, and a high local coordination environment. Additionally, the Debye temperature (162 K) and average speed of sound (1666 m s-1) are relatively low with a very small electronic contribution to the heat capacity. Ultralow thermal conductivity (0.46 W m-1 K-1 at room temperature) is attributed to the relatively weak chemical bonding and intrinsic anharmonicity, in addition to a large unit cell. This work is part of the continuing effort to explore quaternary chalcogenides with intrinsically low thermal conductivity and identify the features that result in a low thermal conductivity.
- Authors:
-
[1];
[1];
[2];
[1]
- Univ. of South Florida, Tampa, FL (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; National Science Foundation (NSF); USDOE
- OSTI Identifier:
- 1864410
- Alternate Identifier(s):
- OSTI ID: 1860518
- Grant/Contract Number:
- AC05-00OR22725; DMR-1748188; AC05000OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Dalton Transactions
- Additional Journal Information:
- Journal Volume: 51; Journal Issue: 16; Journal ID: ISSN 1477-9226
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Wang, Hsin, and Nolas, George S. Structural and thermal properties of ultralow thermal conductivity Ba3Cu2Sn3Se10. United States: N. p., 2022.
Web. doi:10.1039/d2dt00309k.
Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Wang, Hsin, & Nolas, George S. Structural and thermal properties of ultralow thermal conductivity Ba3Cu2Sn3Se10. United States. https://doi.org/10.1039/d2dt00309k
Ojo, Oluwagbemiga P., Gunatilleke, Wilarachchige B., Wang, Hsin, and Nolas, George S. Wed .
"Structural and thermal properties of ultralow thermal conductivity Ba3Cu2Sn3Se10". United States. https://doi.org/10.1039/d2dt00309k. https://www.osti.gov/servlets/purl/1864410.
@article{osti_1864410,
title = {Structural and thermal properties of ultralow thermal conductivity Ba3Cu2Sn3Se10},
author = {Ojo, Oluwagbemiga P. and Gunatilleke, Wilarachchige B. and Wang, Hsin and Nolas, George S.},
abstractNote = {The thermal properties of Ba3Cu2Sn3Se10 were investigated by measurement of the thermal conductivity and heat capacity. The chemical bonding in this diamagnetic material was investigated using structural data from Rietveld refinement and calculated electron localization. This quaternary chalcogenide is monoclinic (P21/c), has a large unit cell with 72 atoms in the primitive cell, and a high local coordination environment. Additionally, the Debye temperature (162 K) and average speed of sound (1666 m s-1) are relatively low with a very small electronic contribution to the heat capacity. Ultralow thermal conductivity (0.46 W m-1 K-1 at room temperature) is attributed to the relatively weak chemical bonding and intrinsic anharmonicity, in addition to a large unit cell. This work is part of the continuing effort to explore quaternary chalcogenides with intrinsically low thermal conductivity and identify the features that result in a low thermal conductivity.},
doi = {10.1039/d2dt00309k},
journal = {Dalton Transactions},
number = 16,
volume = 51,
place = {United States},
year = {Wed Mar 30 00:00:00 EDT 2022},
month = {Wed Mar 30 00:00:00 EDT 2022}
}
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