Influence of Bi Substitution with Rare-Earth Elements on the Transport Properties of BiCuSeO Oxyselenides

Novitskii A. Serhiienko I. Novikov S. Ashim Y. Zheleznyi M. Kuskov K. Pankratova D. Konstantinov P. Voronin A. Tretiakov O.A. Inerbaev T. Burkov A. Khovaylo V.
27 June 2022 American Chemical Society

ACS Applied Energy Materials
2022 #5 Issue 6 7830 - 7841 pp.

In this study, we demonstrate that introduction of rare-earth elements, R = La or Pr, into the Bi-O charge reservoir layer of BiCuSeO leads to an increase of both the charge carrier concentration and the effective mass. Although the charge carrier mobility slightly decreases upon Bi3+ to R3+ substitution, the electronic transport properties are significantly improved in a broad temperature range from 100 to 800 K. In particular, the electrical resistivity decreases by 2 times, while the Seebeck coefficient drops from 323 to 238 μV K-1 at 800 K. Thus, a power factor of nearly 3 μW cm-1 K-2 is achieved for Bi0.92R0.08CuSeO samples at 800 K. Meanwhile, a noticeable decrease of the lattice thermal conductivity is observed for the substituted samples, which can be attributed to the enhanced point defect scattering mostly originating from atomic mass fluctuations between R and Bi. Ultimately, a maximum zT value of nearly 0.34 at 800 K is obtained for the Bi0.92La0.08CuSeO sample, which is ∼30% higher than that of pristine BiCuSeO.

BiCuSeO , oxyselenides , rare-earth elements , thermoelectric materials , transport properties

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National University of Science and Technology MISIS, Moscow, 119049, Russian Federation
Ioffe Institute, St. Petersburg, 194021, Russian Federation
The University of New South Wales, Sydney, 2052, Australia
A.A. Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences, Moscow, 119334, Russian Federation
Sobolev Institute of Geology and Mineralogy, Novosibirsk, 630090, Russian Federation
L.N. Gumilyov Eurasian National University, Nur-Sultan, 010000, Kazakhstan

National University of Science and Technology MISIS
Ioffe Institute
The University of New South Wales
A.A. Baikov Institute of Metallurgy and Materials Science
Sobolev Institute of Geology and Mineralogy
L.N. Gumilyov Eurasian National University

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