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. 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.
| Original language | English |
|---|---|
| Pages (from-to) | 6220-6225 |
| Number of pages | 6 |
| Journal | Dalton Transactions |
| Volume | 51 |
| Issue number | 16 |
| DOIs | |
| State | Published - Mar 30 2022 |
Funding
This work was supported, in part, by the National Science Foundation, Grant No. DMR-1748188. H. W. acknowledges support of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Powertrain Materials Core Program. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725.