Structural Formability of ABO₃-Type Perovskite Compounds: Bond Valence Analysis

Abstract:

On the basis of a total of 382 ABO₃-type compounds, the structural formability of ABO₃-type perovskite compounds is investigated by using the bond valence model method. A new two-dimensional structural map approach for predicting the formability of ABO₃-type perovskite compounds that relies on the ideal bond distances with the combination of bond valence parameter, coordination number and oxidation state is proposed. The sample points representing compounds of forming perovskite and non-perovskite are distributed in distinctively different regions. Some misclassified compounds are analyzed and some new compounds are tested within the new structure map. The developed approach can be used to search for new perovskite and perovskite-related compounds by screening all possible elemental combinations.

• Periodical: Applied Mechanics and Materials (Volume 470)
• Pages: 84-87
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.470.84
• Online since: December 2013
• Authors: Huan Zhang, Xu Zhang, Jun Guo Ma
• Keywords: ABO₃-Type Perovskite Compounds, Bond Valence Model, Structural Formability

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