New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a perovskite oxide, PZT. This work opens the door to understanding the exceptional physical behaviour of PZT and related systems.
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Rabe, K. Think locally, act globally. Nature Mater 1, 147–148 (2002). https://doi.org/10.1038/nmat753
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DOI: https://doi.org/10.1038/nmat753