Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites
Abstract
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.
- Authors:
-
[1];
[1]
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Pennsylvania State Univ., University Park, PA (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1376610
- Alternate Identifier(s):
- OSTI ID: 1361894
- Grant/Contract Number:
- AC05-00OR22725; FG02-07ER46417
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Applied Physics Letters
- Additional Journal Information:
- Journal Volume: 110; Journal Issue: 20; Journal ID: ISSN 0003-6951
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Cao, Ye, Chen, Long-Qing, and Kalinin, Sergei V. Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites. United States: N. p., 2017.
Web. doi:10.1063/1.4983560.
Cao, Ye, Chen, Long-Qing, & Kalinin, Sergei V. Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites. United States. https://doi.org/10.1063/1.4983560
Cao, Ye, Chen, Long-Qing, and Kalinin, Sergei V. Tue .
"Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites". United States. https://doi.org/10.1063/1.4983560. https://www.osti.gov/servlets/purl/1376610.
@article{osti_1376610,
title = {Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites},
author = {Cao, Ye and Chen, Long-Qing and Kalinin, Sergei V.},
abstractNote = {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.},
doi = {10.1063/1.4983560},
journal = {Applied Physics Letters},
number = 20,
volume = 110,
place = {United States},
year = {Tue May 16 00:00:00 EDT 2017},
month = {Tue May 16 00:00:00 EDT 2017}
}
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Works referencing / citing this record:
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