Effect of zinc doping on electrical properties of LaAlO3 perovskite

Anastasia V. Egorova, Ksenia G. Belova, Irina E. Animitsa, Yelizaveta A. Morkhova, Artem A. Kabanov

Abstract


New solid solution with the general formula of LaAl1-xZnxO3-1/2x was prepared by a solid-state reaction route. According to XRD, the crystal structure of LaAlO3 is rhombohedral, while the solid solution possesses cubic symmetry. Homogeneity region of the solid solution LaAl1-xZnxO3-1/2x was narrow and limited to the maximum concentration of 5 mol. %. Computer simulations using crystalochemistry and density functional theory approaches showed that LaAlO3 has high energy barriers for O2–-ion transport (>2.79 eV). These results are in good agreement with the low values of electrical conductivity obtained experimentally. The electrical conductivity of LaAl1-xZnxO3-1/2x was measured by impedance spectroscopy in the temperature range of 200–1000 °C. The partial substitution of Al3+ by Zn2+ was found to increase the electrical conductivity by ~2 order of magnitude. The electrical conductivity of doped phase LaAl0.95Zn0.05O2.975 as a function of oxygen partial pressure was measured, and the partial contributions (oxygen-ionic and electronic) were determined. It was found that the sample has mixed ionic and p-type electronic conductivity, while the electronic contribution increases with the rise of the temperature.

Keywords


perovskite; lanthanum alumina zinc; structure; ionic conductivity; modeling of ion transport; geometrical-topological analysis; Voronoi partition; BVSE-simulation; DFT-calculation

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References


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DOI: https://doi.org/10.15826/chimtech.2020.8.1.03

Copyright (c) 2020 Anastasia V. Egorova, Ksenia G. Belova, Irina E. Animitsa, Yelizaveta A. Morkhova, Artem A. Kabanov

© Chimica Techno Acta, 2014-2020
ISSN 2411-1414 (Online), ISSN 2409-5613 (Print)

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