Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites

Cao, Ye; Chen, Long-Qing; Kalinin, Sergei V.

doi:10.1063/1.4983560

Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites

Journal Article · Tue May 16 00:00:00 EDT 2017 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4983560· OSTI ID:1376610

^[1]; Chen, Long-Qing ^[2]; ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Pennsylvania State Univ., University Park, PA (United States)

Ferroelectric and ferroelastic domain walls play important roles in ferroelectric properties. However, their couplings with flexoelectricity have been less understood. Here, we applied phase-field simulation to investigate the flexoelectric coupling with ferroelectric a/c twin structures in lead ziconate titanate thin films. Local stress gradients were found to exist near twin walls that created both lateral and vertical electric fields through the flexoelectric effect, resulting in polarization inclinations from either horizontal or normal orientation, polarization rotation angles deviated from 90°, and consequently highly asymmetric a/c twin walls. Furthermore, by tuning the flexoelectric strengths in a reasonable range from first-principles calculations, we found that the transverse flexoelectric coefficient has a larger influence on the polarization rotation than longitudinal and shear coefficients. And as polar rotations that commonly occur at compositional morphotropic phase boundaries contribute to the piezoelectric enhancement, this work calls for further exploration of alternative strain-engineered polar rotations via flexoelectricity in ferroelectric thin films.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725; FG02-07ER46417

OSTI ID:: 1376610

Alternate ID(s):: OSTI ID: 1361894

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 20 Vol. 110; ISSN APPLAB; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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