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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

Full text
Author(s):
Santos, Samuel S. M. [1] ; Marcondes, Michel L. [2] ; Miranda, Ivan P. [2] ; Rocha-Rodrigues, Pedro [1] ; Assali, Lucy V. C. [2] ; Lopes, Armandina M. L. [1] ; Petrilli, Helena M. [2] ; Araujo, Joao P. [1]
Total Authors: 8
Affiliation:
[1] Univ Porto, Inst Phys Adv Mat Nanotechnol & Photon, Fac Ciencias, IFIMUP, Dept Fis & Astron, Rua Campo Alegre 687, P-4169007 Porto - Portugal
[2] Univ Sao Paulo, Inst Fis, Rua Matao 1371, BR-05508090 Sao Paulo, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: JOURNAL OF MATERIALS CHEMISTRY C; v. 9, n. 22 JUN 14 2021.
Web of Science Citations: 0
Abstract

An ab initio study of several hybrid improper ferroelectric (HIF) materials in the Ruddlesden-Popper phases and double perovskite structures is here presented. The focus is on the correlation between the electric field gradient at several nuclear sites (EFG) and the spontaneous electric polarization. As observed in some proper ferroelectrics, we found that the EFG tensor components, along possible switching paths to invert the polarization, are interchangeable between the ferroelectric and paraelectric phases in the HIF AA(2)'B2O7 and AA ` B2O6 (A, A ` = Ca, Cd and B = Mn, Ti) compounds. The results indicate that the relationship between the main continuous component of the EFG tensor and the electric polarization, even at sites without inversion symmetry, is primarily quadratic. Moreover, the claimed linear correlation was not observed. These results open a route to analyze the local octahedral distortions that underline HIF materials' functional multiferroic properties. (AU)

FAPESP's process: 19/07661-9 - Functional lattice instabilities in naturally layered perovskites
Grantee:Michel Lacerda Marcondes dos Santos
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 18/07760-4 - Functional lattice instabilities in naturally layered perovskites
Grantee:Helena Maria Petrilli
Support Opportunities: Regular Research Grants