Effect of zinc doping on electrical properties of LaAlO 3  perovskite

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

doi:10.15826/chimtech.2020.8.1.03

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 LaAl_1-xZn_xO_3-1/2x 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 LaAl_1-xZn_xO_3-1/2x 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 O^2–-ion transport (>2.79 eV). These results are in good agreement with the low values of electrical conductivity obtained experimentally. The electrical conductivity of LaAl_1-xZn_xO_3-1/2x 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 LaAl_0.95Zn_0.05O_2.975 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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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