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arxiv 1909.02536 v3 pith:GZ6P6TWR submitted 2019-09-05 cond-mat.mtrl-sci

Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

classification cond-mat.mtrl-sci
keywords antiferroelectricsicmsperovskiteantiparallelincommensuratemodulationspbzroadjacent
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Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO$_3$ perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully-compensated antiparallel fashion, are found to be either antiparallel but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO$_3$-based perovskite antiferroelectrics.

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