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Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu_2ZnGeSe_(4−x)S_x Series of Solid Solutions

Heinrich, Christophe P. and Day, Tristan W. and Zeier, Wolfgang G. and Snyder, G. Jeffrey and Tremel, Wolfgang (2014) Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu_2ZnGeSe_(4−x)S_x Series of Solid Solutions. Journal of the American Chemical Society, 136 (1). pp. 442-448. ISSN 0002-7863. doi:10.1021/ja410753k.

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Knowledge of structure–property relationships is a key feature of materials design. The control of thermal transport has proven to be crucial for the optimization of thermoelectric materials. We report the synthesis, chemical characterization, thermoelectric transport properties, and thermal transport calculations of the complete solid solution series Cu_2ZnGeSe_(4–x)S_x (x = 0–4). Throughout the substitution series a continuous Vegard-like behavior of the lattice parameters, bond distances, optical band gap energies, and sound velocities are found, which enables the tuning of these properties adjusting the initial composition. Refinements of the special chalcogen positions revealed a change in bonding angles, resulting in crystallographic strain possibly affecting transport properties. Thermal transport measurements showed a reduction in the room-temperature thermal conductivity of 42% triggered by the introduced disorder. Thermal transport calculations of mass and strain contrast revealed that 34% of the reduction in thermal conductivity is due to the mass contrast only and 8% is due to crystallographic strain.

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Snyder, G. Jeffrey0000-0003-1414-8682
Additional Information:© 2013 American Chemical Society. Received: October 25, 2013. Publication Date (Web): November 26, 2013. We acknowledge support from the DFG priority program SPP1386 “Nanostructured Thermoelectrics”. Further financial support through the Excellence Initative (DFG/GSC 266) is acknowledged by C.P.H. and W.G.Z. W.G.Z. is a recipient of a fellowship of the Carl Zeiss-Stiftung. T.W.D. and G.J.S. acknowledge support from the U. S. Air Force Office of Scientific Research. We gratefully thank Heng Wang (CalTech) for fruitful discussions on thermal conductivity modeling.
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DFG priority programSPP1386
Excellence Initative (DFG/GSC 266)UNSPECIFIED
Carl Zeiss-StiftungUNSPECIFIED
Air Force Office of Scientific Research (AFOSR)UNSPECIFIED
Issue or Number:1
Record Number:CaltechAUTHORS:20140214-111050411
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Official Citation: Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4–xSx Series of Solid Solutions Christophe P. Heinrich, Tristan W. Day, Wolfgang G. Zeier, G. Jeffrey Snyder, and Wolfgang Tremel Journal of the American Chemical Society 2014 136 (1), 442-448
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:43837
Deposited By: Ruth Sustaita
Deposited On:18 Feb 2014 17:23
Last Modified:10 Nov 2021 16:43

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