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

Journal Article · Thu Jul 03 00:00:00 EDT 2014 · Mater. Chem. Phys.

DOI:https://doi.org/10.1016/j.matchemphys.2014.03.034· OSTI ID:1140241

Burnett, Johanna D.; Gourdon, Olivier; Ranmohotti, Kulugammana G.S.; Takas, Nathan J.; Djieutedjeu, Honore; Poudeu, Pierre F.P.; Aitken, Jennifer A. ^[1]

---

1. Michigan

CuIn_1-xFe_xS₂ (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_0.15S₂ sample, which contains a minute secondary phase. These refinements also verify that iron resides on the indium site in the CuIn_1-xFe_xS₂ materials. CuIn_0.875Fe_0.125S₂ 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 CuIn_0.875Fe_0.125S₂. 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.

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: National Science Foundation (NSF)
• OSTI ID: 1140241
• Journal Information: Mater. Chem. Phys., Vol. 147, Issue (1-2) ; 09, 2014
• Country of Publication: United States
• Language: ENGLISH