Tilt-driven antiferroelectricity in PbZrO3
Antiferroelectricity is a state of matter that has so far eluded a clear-cut definition. Even in the best-known material realization, PbZrO3, the physical nature of the driving force towards an antipolar order has not been settled yet. Here, by building a Landau-like continuum Hamiltonian from first...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/341489 |
| Acceso en línea: | http://hdl.handle.net/10261/341489 https://api.elsevier.com/content/abstract/scopus_id/85166385312 |
| Access Level: | acceso abierto |
| Palabra clave: | Antiferroelectricity Electric polarization Ferroelectricity Flexoelectricity |
| Sumario: | Antiferroelectricity is a state of matter that has so far eluded a clear-cut definition. Even in the best-known material realization, PbZrO3, the physical nature of the driving force towards an antipolar order has not been settled yet. Here, by building a Landau-like continuum Hamiltonian from first principles via an exact long-wave approach, we reconcile the existing theories in terms of a single physical mechanism. In particular, we find that a formerly overlooked trilinear coupling between tilts, tilt gradients, and polarization provides a surprisingly accurate description of the energetics and structure of the antiferroelectric ground state of PbZrO3. We discuss the relevance of our findings to other ferrielectric and incommensurate polar structures that were recently observed in perovskites. |
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