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Title: Structure-property relationships along the Fe-substituted CuInS2 series: Tuning of thermoelectric and magnetic properties

CuIn1-xFexS2 (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 CuIn0.85Fe0.15S2 sample, which contains a minute secondary phase. These refinements also verify that iron resides on the indium site in the CuIn1-xFexS2 materials. CuIn0.875Fe0.125S2 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 CuInS2 to CuIn0.875Fe0.125S2. These improved properties result in an increase in the thermoelectric figure of merit (ZT) of CuInS2 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:
Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
Sponsoring Org:
Country of Publication:
United States