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The origin of antiferroelectricity in PbZrO3

TLDR
This work reports the results of a study on the lattice dynamics of the antiferroelectric lead zirconate using inelastic and diffuse X-ray scattering techniques and the Brillouin light scattering, and suggests an approach to the treatment of complex phase transitions in ferroics.
Abstract
Antiferroelectrics are essential ingredients for the widely applied piezoelectric and ferroelectric materials: the most common ferroelectric, lead zirconate titanate is an alloy of the ferroelectric lead titanate and the antiferroelectric lead zirconate. Antiferroelectrics themselves are useful in large digital displacement transducers and energy-storage capacitors. Despite their technological importance, the reason why materials become antiferroelectric has remained allusive since their first discovery. Here we report the results of a study on the lattice dynamics of the antiferroelectric lead zirconate using inelastic and diffuse X-ray scattering techniques and the Brillouin light scattering. The analysis of the results reveals that the antiferroelectric state is a 'missed' incommensurate phase, and that the paraelectric to antiferroelectric phase transition is driven by the softening of a single lattice mode via flexoelectric coupling. These findings resolve the mystery of the origin of antiferroelectricity in lead zirconate and suggest an approach to the treatment of complex phase transitions in ferroics.

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Journal ArticleDOI

Flexoelectricity in solids: Progress, challenges, and perspectives

TL;DR: The flexoelectricity describes the contribution of the linear couplings between the electric polarization and strain gradient and between polarization gradient and strain to the thermodynamics of a solid as discussed by the authors.
Journal ArticleDOI

Jagged-Delta asymmetry in Notch signaling can give rise to a Sender/Receiver hybrid phenotype.

TL;DR: It is found that the asymmetry between the modulations of Delta and Jagged leads to the existence of the previously unexplored possibility of a Sender–Receiver phenotype enabling two interacting cells to share a similar fate.
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Quantification of flexoelectricity in PbTiO3/SrTiO3 superlattice polar vortices using machine learning and phase-field modeling.

TL;DR: The presence of flexoelectricity in the recently discovered polar vortices in Pb TiO3/SrTiO3 superlattices is shown based on a combination of machine-learning analysis of the atomic-scale electron microscopy imaging data and phenomenological phase-field modeling.
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Ferroelectric translational antiphase boundaries in nonpolar materials.

TL;DR: It is shown first that antiphase boundaries in antiferroelectrics may possess ferroelectricity, then identified and evidence their polarity by electron microscopy using negative spherical-aberration imaging technique and ab initio modelling confirms the polar bi-stable nature of the walls.
References
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Journal ArticleDOI

Structural Phase Transitions

TL;DR: In this paper, the phase transition in ordered and ordered crystals is studied by NMR and NQR studies of phase transitions in Disordered and Ordered Crystals, respectively.
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Piezoelectricity and flexoelectricity in crystalline dielectrics

TL;DR: This work has shown that not only the intensity of the response of the immune system to carbon dioxide but also its ability to reprogram theresponse of the nervous system to accommodate high levels of carbon dioxide.
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Flexoelectric effects: Charge separation in insulating solids subjected to elastic strain gradients

TL;DR: In this article, the authors present a summary of experimental work carried through at Penn State to explore the flexoelectric coefficients μ ijkl in ferroelectric, incipient and relaxor perovskites.
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Theory of Antiferroelectric Crystals

TL;DR: In this article, the dielectric constant above and below the antiferroelectric curie point is investigated for both first and second-order transitions, and it is shown that if the transition is second order, the temperature anomaly near the Curie point will be of the same nature and magnitude as in ferroelectrics.
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Lattice dynamics of BaTiO 3 , PbTiO 3 , and PbZrO 3 : A comparative first-principles study

TL;DR: In this article, the full phonon dispersion relations of lead titanate and lead zirconate in cubic perovskite structure were computed using first-principles variational density-functional perturbation theory, with ab initio pseudopotentials and a plane-wave basis set.
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