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Title: Structure-property relationships along the Fe-substituted CuInS 2 series: Tuning of thermoelectric and magnetic properties

CuIn 1-xFe xS 2 (x = 0–0.15) was synthesized via high-temperature, solid-state synthesis. Rietveld refinements using the neutron and synchrotron powder diffraction data indicate that all Fe-substituted materials are phase pure with the exception of the CuIn 0.85Fe 0.15S 2 sample, which contains a minute secondary phase. These refinements also verify that iron resides on the indium site in the CuIn 1-xFe xS 2 materials. CuIn 0.875Fe 0.125S 2 displayed the lowest total thermal conductivity of the series, 1.37 W m -1 K -1 at 570 K, as well as the highest thermopower, -172 μV K -1 at 560 K. The electrical conductivity increases over six times upon going from CuInS 2 to CuIn 0.875Fe 0.125S 2. These improved properties result in an increase in the thermoelectric figure of merit (ZT) of CuInS 2 by over an order of magnitude for the x = 0.125 sample. Magnetic measurements reveal the x = 0–0.10 samples to be paramagnetic, while the sample in which x = 0.125 displays ferromagnetic ordering below 95 K.
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Publication Date:
OSTI Identifier:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Mater. Chem. Phys.; Journal Volume: 147; Journal Issue: (1-2) ; 09, 2014
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org:
National Science Foundation (NSF)
Country of Publication:
United States