Designing oxides that are inherently polar are of interests for a variety of applications ranging from defense to computing. Countless researchers have cast wide nets compositionally in an attempt to find materials that could harness polar properties. The approach taken in our lab focus on using on a cycle of data mining, computational combinatorial design, and synthesis to elucidate design principles while synthesizing new materials. This approach is efficient and less costly, in time, energy, and money, then previous approaches. For example we will show how using this method has taken a possible 15,625 compounds that could be formed if you chose just 2+ cations for the A, A', and B ions in the perovskite structure and found 52 target compounds that should be capable of forming perovskites with broken corner sharing. Many of which have been synthesized and have been shown to have the predicted structure and currently are under investigation for polar properties.

Designing oxide perovskites that break corner sharing toward realizing polar materials

2019 Spring National Meeting

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