Lattice Dynamics of Protonic Conductors AZrO3 (A = Ba, Sr & Pb): A Comparative Study

Abstract

Recently, many investigations were devoted to the study of family of perovskite-type ABO3oxides. The material belongs to ABO3 perovskite oxides family like SrZrO3, BaZrO3, PbZrO3have many characteristics which are suitable for high-voltage and high-reliability capacitor applications. Many acceptor-doped perovskite-type oxides show high protonic conductivity at elevated temperatures. In addition to their reduced temperature operation relative to traditional oxide ion conductors such as Y-stabilized ZrO2, these perovskites, because of their proton transport properties, offer the possibility of application in a number of arenas including hydrogen sensors for molten metals and hydrogen pumps. In this work we are reporting the results of our theoretical investigation on the phonon properties of ABO3mainly BaZrO3, PbZrO3& SrZrO3in cubic phases. The phonon properties are calculated by using lattice dynamical simulation method based on de Launey angular force (DAF) constant model to understand the role of phonon in these systems. The phonon dispersion curves of these proton conductors in cubic phase are also drawn.