The fields of nonlinear optics, photovoltaics, and thermoelectrics have been strongly impacted by materials research, and quaternary chalcogenides are one general class of materials that has recently generated strong interest. An understanding of the thermal properties is paramount in these and other applications of interest. The thermal properties of BaCdSnSe4, a quaternary chalcogenide that is of interest for applications in nonlinear optics, are reported. Specifically, the thermal conductivity over a large temperature range and heat capacity are evaluated in light of the structural features of this material. Low thermal conductivity results from the complex unit cell as well as local dynamic disorder from Cd in the CdSe4tetrahedra in the crystal structure. The results and analyses reported herein are presented to enhance the fundamental understanding of the thermal properties of these materials, and can be related and applied to other quaternary chalcogenides that are of interest for energy‐related applications.
Synthesis, structure, electronic and thermal properties of sphalerite CuZn 2 InS 4
Quaternary chalcogenides continue to be of interest due to the variety of physical properties they possess, as well as their potential for different applications of interest. Investigations on materials with the sphalerite crystal structure have only recently begun. In this study we have synthesized sulfur-based sphalerite quaternary chalcogenides, including off-stoichiometric compositions, and investigated the temperature-dependent electronic, thermal and structural properties of these materials. Insulating to semiconducting transport is observed with stoichiometric variation, and analyses of heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. We include similar analyses for CuZn 2 InSe 4 and compare these sphalerite quaternary chalcogenides to that of zinc blende binaries in order to fully understand the origin of the low thermal conductivity these quaternary chalcogenides possess.
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- Award ID(s):
- 1748188
- NSF-PAR ID:
- 10329581
- Date Published:
- Journal Name:
- Dalton Transactions
- Volume:
- 50
- Issue:
- 47
- ISSN:
- 1477-9226
- Page Range / eLocation ID:
- 17611 to 17617
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Abstract The development of efficient thermal energy management devices such as thermoelectrics and barrier coatings often relies on compounds having low lattice thermal conductivity (
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The synthesis, electronic structure and temperature dependent transport properties of polycrystalline Cu 1+x Mn 2−x InTe 4 ( x = 0, 0.2, 0.3) are reported for the first time. These quaternary chalcogenides were synthesized by direct reaction of the elements, followed by solid state annealing and hot press densification. The thermal conductivity is low for all specimens and intrinsic to the material system. Furthermore, the off-stoichiometry specimens illustrate the sensitivity of the transport properties to stoichiometry, with a greater than two-orders-of magnitude increase in carrier concentration with increased Cu content. First principles calculations of the electronic structure are also reported, and are in agreement with the experimental data. This fundamental investigation shows the potential towards further optimization of the electrical properties that, in addition to the intrinsically low thermal conductivity, provides a basis for further research into the viability of this material system for potential energy-related applications.more » « less
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/d1dt03218f
