Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics
Abstract
The structure of a 180 ° uncharged rotational domain wall in a multiaxial ferroelectric film is studied in the framework of an analytical Landau-Ginzburg-Devonshire (LGD) approach. Finite element modeling (FEM) is used to solve numerically the system of the coupled nonlinear Euler-Lagrange (EL) second-order differential equations for two components of polarization. We show that the structure of the domain wall and corresponding metastable or stable phase of the film are controlled by a single parameter—the dimensionless ferroelectric anisotropy factor μ. We fitted the static profile of a solitary domain wall, calculated by FEM, with kinklike functions for polarization components, and extracted the five μ-dependent parameters from the fitting to FEM curves. The surprisingly high accuracy of the fitting results for two polarization components in the entire μ range allows us to conclude that the analytical functions, which are trial functions in the direct variational method, can be treated as a high-accuracy variational solution of the static EL equations. We further derive exact two-component analytical solutions of the static EL equations for a polydomain 180 ° domain structure in a multiaxial ferroelectric film. Using these, we derive analytical expressions for the system free energy and analyze its dependence on the filmmore »
- Authors:
-
[1];
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. of Physics
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. for Problems of Materials Science
- Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1787021
- Alternate Identifier(s):
- OSTI ID: 1870260
- Grant/Contract Number:
- AC0500OR22725; AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 4; Journal Issue: 11; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; Domain walls; Equations of state; Ferroelectricity; Phase transitions
Citation Formats
Morozovska, Anna N., Eliseev, Eugene A., Fomichov, Yevhen M., and Kalinin, Sergei V. Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics. United States: N. p., 2020.
Web. doi:10.1103/physrevmaterials.4.114410.
Morozovska, Anna N., Eliseev, Eugene A., Fomichov, Yevhen M., & Kalinin, Sergei V. Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics. United States. https://doi.org/10.1103/physrevmaterials.4.114410
Morozovska, Anna N., Eliseev, Eugene A., Fomichov, Yevhen M., and Kalinin, Sergei V. Fri .
"Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics". United States. https://doi.org/10.1103/physrevmaterials.4.114410. https://www.osti.gov/servlets/purl/1787021.
@article{osti_1787021,
title = {Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics},
author = {Morozovska, Anna N. and Eliseev, Eugene A. and Fomichov, Yevhen M. and Kalinin, Sergei V.},
abstractNote = {The structure of a 180 ° uncharged rotational domain wall in a multiaxial ferroelectric film is studied in the framework of an analytical Landau-Ginzburg-Devonshire (LGD) approach. Finite element modeling (FEM) is used to solve numerically the system of the coupled nonlinear Euler-Lagrange (EL) second-order differential equations for two components of polarization. We show that the structure of the domain wall and corresponding metastable or stable phase of the film are controlled by a single parameter—the dimensionless ferroelectric anisotropy factor μ. We fitted the static profile of a solitary domain wall, calculated by FEM, with kinklike functions for polarization components, and extracted the five μ-dependent parameters from the fitting to FEM curves. The surprisingly high accuracy of the fitting results for two polarization components in the entire μ range allows us to conclude that the analytical functions, which are trial functions in the direct variational method, can be treated as a high-accuracy variational solution of the static EL equations. We further derive exact two-component analytical solutions of the static EL equations for a polydomain 180 ° domain structure in a multiaxial ferroelectric film. Using these, we derive analytical expressions for the system free energy and analyze its dependence on the film thickness and boundary conditions at the film surfaces. The single-domain state is ground for zero polarization derivative at the surfaces, while the polydomain states minimize the system energy for zero polarization at the surfaces. Counterintuitively, the energy of the polydomain states split into two levels, “0” and “1,” for zero polarization at the surfaces, and each of the levels contains a large number of close-energy sublevels, whose structure is characterized by a different number and type of domain walls. The analytical solutions can become a useful tool for Bayesian analysis of high-resolution scanning transmission electron microscopy images in ferroelectric films.},
doi = {10.1103/physrevmaterials.4.114410},
journal = {Physical Review Materials},
number = 11,
volume = 4,
place = {United States},
year = {Fri Nov 13 00:00:00 EST 2020},
month = {Fri Nov 13 00:00:00 EST 2020}
}
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