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Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4



Oluwagbemiga P. Ojo, Wilarachchige D. C. B. Gunatilleke, Hagen Poddig, Hsin Wang, Joshua B. Martin, Dylan J. Kirsch, George S. Nolas


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, revealing semiconducting behavior with appropriate doping for these low thermal conductivity materials. However, there are no investigations on temperature dependent structural properties nor the structural effects on the thermal conductivity. 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. An insulating to semiconductor transport is observed with stochiometric variation, and analyses of the heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. We include similar analyses for CuZn2InSe4 and compare these sphalerite quaternary chalcogenides to that of zinc-blende binaries in order to fully understand the origin of the low thermal conductivity in these quaternary chalcogenides.
Dalton Transactions


Quaternary chalcogenides, sphalerite, transport properties, heat capacity, thermal expansion


Ojo, O. , Gunatilleke, W. , Poddig, H. , Wang, H. , Martin, J. , Kirsch, D. and Nolas, G. (2021), Synthesis, structure, electronic and thermal properties of sphalerite CuZn2InS4, Dalton Transactions, [online],, (Accessed July 17, 2024)


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Created October 12, 2021, Updated November 29, 2022