Physicsnpj Computational Materials
On the possibility that PbZrO3 not be antiferroelectric
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This groundbreaking research by Hugo Aramberri, Claudio Cazorla, Massimiliano Stengel, and Jorge Íñiguez unveils a novel ferrielectric structure for lead zirconate (PbZrO₃), challenging the long-held belief that it is an antiferroelectric material. First-principles calculations indicate that this ferrielectric phase could be more stable even at room temperature, prompting a shift in the understanding of this prototypical material.
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