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Flexoelectricity and the polarity of complex ferroelastic twin patterns

Accepted version
Peer-reviewed

Repository DOI


Type

Article

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Authors

Salje, EKH 
Li, S 
Stengel, M 
Gumbsch, P 
Ding, X 

Abstract

We study, by means of an atomistic toy model, the interplay of ferroelastic twin patterns and electrical polarization. Our molecular dynamics simulations reproduce polarity in straight twin walls as observed experimentally. We show, by making contact with continuum theory, that the effect is governed by linear flexoelectricity. Complex twin patterns, with very high densities of kinks and/or junctions, produce winding structures in the dipolar field, which are reminiscent of polarization vortices. By means of a "cold shearing" technique, we produce patches with high vortex densities; these unexpectedly show a net macroscopic polarization even if neither the original sample nor the applied mechanical perturbation breaks inversion symmetry by itself. These results may explain some puzzling experimental observations of "parasitic" polarity in the paraelectric phase of BaTiO3 and LaAlO3.

Description

Keywords

3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences

Journal Title

Physical Review B

Conference Name

Journal ISSN

2469-9950
2469-9969

Volume Title

94

Publisher

American Physical Society (APS)
Sponsorship
Engineering and Physical Sciences Research Council (EP/K009702/1)
EKHS is grateful to EPSRC for financial support (EP/K009702/1). SL and PG appreciate the support by Helmholtz Programme Science and Technology of Nanosystems (STN) (Vorhabensnumber 43.22.01). MS acknowledges support by MINECO-Spain through Grants No. FIS2013-48668-C2-2-P and No. SEV-2015-0496, and by Generalitat de Catalunya (2014 SGR301). X.D. appreciates the support of NSFC (51171140, 51231008, 51320105014, 51321003), the 973 Programs of China (2012CB619402), and 111 project (B06025).