Empirical Modeling of Perovskite Structures

Jessica Phuong, Rick Ubic, Sophie McManus, Bryan Wright

Research output: Contribution to conferencePresentation

Abstract

A simple perovskite is characterized by its crystal structure and ABX 3 stoichiometry, where A and B are cations and X is an anion. The structure is defined by corner-shared anion octahedra, each containing a single B-site cation, with A-site cations in the cuboctahedral spaces between octahedra. Perovskites often have many functional properties such as ferroelectricity and piezoelectricity, which make them promising materials for a wide range of applications such as green-energy, mobile/satellite telephony, computers, automobiles, etc. Given the wide range of potential applications for these materials, it is vital to develop processing-structure-property models which are simple, inexpensive, and easily adaptable to the needs of industry. The objective of this project is to produce highly ordered Barium Strontium Magnesium Tantalate (BSMT) samples and use the collected experimental data to assist in creating a predictive model for the a pc of 1:2 ordered perovskites. Towards this end, three 1:2 ordering triple perovskites in the form of (Ba (1-x) Sr x )(Mg 1/3 Ta 2/3 )O 3 were synthesized and analyzed for a pc and η.

Original languageAmerican English
StatePublished - 12 Jul 2023

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