Issue 3, 2017

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.

Graphical abstract: Structural and thermoelectric properties of n-type isocubanite CuFe2S3

Article information

Article type
Research Article
Submitted
17 نومبر 2016
Accepted
17 دسمبر 2016
First published
21 دسمبر 2016

Inorg. Chem. Front., 2017,4, 424-432

Structural and thermoelectric properties of n-type isocubanite CuFe2S3

T. Barbier, D. Berthebaud, R. Frésard, O. I. Lebedev, E. Guilmeau, V. Eyert and A. Maignan, Inorg. Chem. Front., 2017, 4, 424 DOI: 10.1039/C6QI00510A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements