The goal of this work is to find lead-free alternates for materials used in piezo- and ferroelectric applications. We have used cations other than lead that drive various distortions in the cubic structure, particularly Jahn-Teller distortions driven by cations with lone pairs and d0electronic configurations. This work presents analysis of the neutron pair distribution function (PDF) to determine the structure of substituted BaTiO3perovskite materials. The A cite cation is replaced by a combination of Sr, Ba, K, Na, and Bi, and data has been collected at various temperatures. Small box modeling through the program PDFgui is employed to identify changes in the local space group symmetry as the temperature decreases, which will inform on the nature of the distortions and their applicability as lead-free piezo- and ferroelectrics.

Analysis of the origins of ferroelectricity in substituted perovskites using the neutron pair distribution function

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.