Symmetry-determined antiferroelectricity in PbZr O^sub 3^, NaNb O^sub 3^, and PbHf O^sub 3

Like ferroelectric or ferroelastic phase transitions, antiferroelectric transitions can be predicted by symmetry. This property is illustrated by a theoretical analysis of the complex phase transitions, occurring in the perovskite compounds PbZr O3, NaNb O3, and PbHf O3, which involve the coupling o...

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Bibliographic Details
Published in:Physical review. B 2019-01, Vol.99 (2), p.1
Main Authors: Tolédano, Pierre, Khalyavin, Dmitry D
Format: Article
Language:English
Subjects:
Antiferroelectricity
Broken symmetry
Coupling (molecular)
Electric fields
Ferroelectric materials
Order parameters
Perovskites
Phase diagrams
Phase transitions
Subgroups
Symmetry
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Summary:Like ferroelectric or ferroelastic phase transitions, antiferroelectric transitions can be predicted by symmetry. This property is illustrated by a theoretical analysis of the complex phase transitions, occurring in the perovskite compounds PbZr O3, NaNb O3, and PbHf O3, which involve the coupling of several order parameters. The symmetry-breaking order parameters associated with the transitions in the three compounds are determined. The antiferroelectric transitions are shown to verify specific symmetry criteria, which consist of the emergence at the local scale of polar site symmetries coinciding with symmorphic subgroups of the antiferroelectric space group. The theoretical temperature–electric-field phase diagram of PbZr O3 involving ferrielectric and ferroelectric phases is worked out.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.99.024105