HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Structural and thermoelectric properties of n-type isocubanite CuFe2S3

Abstract : An effective strategy to enhance thermoelectric performance consists of scattering phonons by point defects, such as the ones intrinsic to the n-type isocubanite CuFe2S3. In this structure, the TEM evidences a random distribution of vacancies, and copper and iron ions of the 4c and 4d sites naturally reduce the phonon lifetime. Furthermore, orthorhombic and cubic cubanite are usually found in their natural states intimately intergrown with other sulfides such as chalcopyrite (CuFeS2) and pyrrhotite (Fe7S8). We performed comprehensive studies of Rietveld analysis of X-ray diffraction, transmission electron microscopy, and thermoelectric transport measurements of the n-type isocubanite CuFe2S3, and we obtained a maximum ZT value of 0.14 at 700 K in this environmentally friendly compound. Our electronic structure calculations support the fact that chalcopyrite CuFeS2 is an antiferromagnetic insulator, together with a higher degree of covalency of sulfide compared to oxides. The weak temperature dependence of the resistivity points towards strong disorder in the 4c and 4d sites of the isocubanite.
Complete list of metadata

Contributor : Elisabeth van T Hof Connect in order to contact the contributor
Submitted on : Friday, July 5, 2019 - 4:59:50 PM
Last modification on : Friday, April 29, 2022 - 2:07:56 PM



Tristan Barbier, David Berthebaud, Raymond Fresard, Oleg I. Lebedev, Emmanuel Guilmeau, et al.. Structural and thermoelectric properties of n-type isocubanite CuFe2S3. Inorganic Chemistry Frontiers, Royal Society of Chemistry, 2017, 4 (3), pp.424-432. ⟨10.1039/c6qi00510a⟩. ⟨hal-02175386⟩



Record views