On the possibility that PbZrO3 not be antiferroelectric

Ab initio study of antiferroelectric PbZrO3 (001) surfaces

We have carried out first-principles totalenergy calculations of bulk and (001) surfaces of PbZrO3. The ground state for bulk PbZrO3 is determined to be the antiferroelectric orthorhombic phase, with the ferroelectric rhombohedral and paraelectric cubic phases being 0.14 and 0.39 eV per formula unit higher in energy, respectively. PbOand ZrO2-terminated (001) surfaces, either clean or when hydr...

Ferroelectric/Antiferroelectric Pb(Zr0.8Ti0.2)O3/PbZrO3 Epitaxial Multilayers: Growth and Thickness-Dependent Properties

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Critical scattering and incommensurate phase transition in antiferroelectric PbZrO3 under pressure

Antiferroelectric lead zirconate is the key ingredient in modern ferroelectric and piezoelectric functional solid solutions. By itself it offers opportunities in new-type non-volatile memory and energy storage applications. A highly useful and scientifically puzzling feature of this material is the competition between the ferro- and antiferroelectric phases due to their energetic proximity, whi...

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