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Phase field methods have been widely used to study phase transitions and polarization switching in ferroelectric thin films. In this paper, we develop an efficient numerical scheme for the variational phase field model based on variational…

Computational Physics · Physics 2020-12-22 Ruotai Li , Qiang Du , Lei Zhang

We describe ferroelectric thin films with circular electrodes and develop a thermodynamic theory that explains previously mysterious experiments. It is found to be especially useful for restricted geometries such as microstructures for…

Materials Science · Physics 2015-06-19 Laurent Baudry , Anaïs Sené , Igor A. Luk'yanchuk , Laurent Lahoche , James F Scott

Phase-field simulation (PFS) have revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on solution of a (set) of Ginzburg-Landau equations for a…

Materials Science · Physics 2017-01-04 Ye Cao , Sergei V. Kalinin

Pressure-induced polarization switching in ferroelectric thin films has emerged as a powerful method for domain patterning, allowing to create predefined domain patterns on free surfaces and under thin conductive top electrodes. However,…

Materials Science · Physics 2017-12-06 Ye Cao , Anna Morozovska , Sergei V. Kalinin

Understanding the dynamic behavior of the domain structure is critical to the design and application of super-elastic freestanding ferroelectric thin films. The phase-field simulation is currently a powerful tool for observing, exploring,…

Materials Science · Physics 2022-08-19 Changqing Guo , Houbing Huang

We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the…

Statistical Mechanics · Physics 2009-10-31 A. M. Bratkovsky , A. P. Levanyuk

The switching polarization of a ferroelectric is a characterization of the current that flows due to changes in polarization when the system is switched between two states. Computation of this change in polarization in crystal systems has…

Materials Science · Physics 2020-07-29 John Bonini , David Vanderbilt , Karin M. Rabe

When subjected to electro-mechanical loading, ferroelectrics see their polarization evolve through the nucleation and evolution of domains. Existing mesoscale phase-field models for ferroelectrics are typically based on a gradient-descent…

Materials Science · Physics 2023-05-10 Laurent Guin , Dennis Kochmann

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Yoshiyuki Kawazoe , Umesh V. Waghmare

Many ferroelectric solid solutions exhibit enhanced electro-mechanical properties at the morphotropic boundary separating two phases with different orientations of polarization. The mechanism of properties enhancement is associated with…

Materials Science · Physics 2015-05-19 Dragan Damjanovic

General energy approaches have been applied to study the single-domain polarization reversal induced by the voltage-modulated Atomic Force Microscopy (AFM) in ferroelectric single crystals and thin films. Topographic analysis of energy…

Materials Science · Physics 2009-11-10 A. Yu. Emelyanov

The equations for phase transitions temperatures, order parameters and critical concentrations of components have been derived for mixed ferroelectrics. The electric dipoles randomly distributed over the system were considered as a random…

Materials Science · Physics 2007-05-23 M. D. Glinchuk , E. A. Eliseev , V. A. Stephanovich , L. Jastrabik

We derive a variational formulation for thin film magnetization problems in type-II superconductors written in terms of two variables, the electric field and the magnetization function. A numerical method, based on this formulation, makes…

Superconductivity · Physics 2015-06-04 John W Barrett , Leonid Prigozhin

We suggest a random field based model for calculation of physical properties of mixed ferroelectric relaxors. Our model naturally incorporates the different orientations of electric dipoles (related to different solid solution components)…

Materials Science · Physics 2007-05-23 M. D. Glinchuk , E. A. Eliseev , V. A. Stephanovich , B. Hilczer

We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Y. Kawazoe , Umesh V. Waghmare

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…

Materials Science · Physics 2023-12-12 Jin Zhang , Alexander F. Chadwick , Peter W. Voorhees

Polyvinylidenefluoride (PVDF) a semicrystalline pieozoelectric polymer was synthesized with varying process conditions and its ferroelectric domain orientations were studied using piezoresponse force microscope (PFM). PVDF thin films…

It is nowadays a quite diffuse idea that variations of polarisation in condensed matter theory are related to a "Berry phase". The derivation of the latter geometric phase is correct $\it{only if}$ the restrictive periodic gauge\cite{KS-V}…

Materials Science · Physics 2009-06-26 Simone Selenu

We consider both experimentally and analytically the transient oscillatory process that arises when a rapid change in voltage is applied to a $Ba_xSr_{1-x}TiO_3$ ferroelectric thin film deposited on an $Mg0$ substrate. High frequency…

Materials Science · Physics 2015-05-19 J. -G. Caputo , A. I. Maimistov , E. D. Mishina , E. V. Kazantseva , V. M. Mukhortov

We study in this paper the phase transition in superlattices formed by alternate magnetic and ferroelectric layers, by the use of Monte Carlo simulation. We study effects of temperature, external magnetic and electric fields,…

Statistical Mechanics · Physics 2019-02-20 Ildus F. Sharafullin , M. Kh. Kharrasov , H. T. Diep
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