Flexo-Elastic Control Factors of Domain Morphology in Core-Shell Ferroelectric Nanoparticles: Soft and Rigid Shells

TL;DR

This study uses finite element modeling to investigate how elastic anisotropy, electrostriction, flexoelectric effects, and mismatch strain influence domain structures in core-shell ferroelectric nanoparticles, revealing complex morphologies and topological defects.

Contribution

It provides new insights into the role of elastic and electromechanical couplings in stabilizing diverse domain morphologies in ferroelectric core-shell nanoparticles.

Findings

Soft shells stabilize vortex structures at weak electrostriction.

Rigid shells promote flux-closure domains with flexoelectric effects.

Mismatch strain influences domain wall curling and defect formation.

Abstract

Within the framework of the Landau-Ginzburg-Devonshire approach we explore the impact of elastic anisotropy, electrostriction, flexoelectric couplings, and mismatch strain on the domain structure morphology in ferroelectric core-shell nanoparticles of spherical shape. We perform finite element modelling (FEM) for multiaxial ferroelectric nanoparticle cores covered with an elastically-isotropic soft or elastically-anisotropic rigid paraelectric shell, with and without mismatch strains. In the case of a core covered with a soft shell, the FEM results show that at room temperature a single polarization vortex with a dipolar kernel can be stable if the electrostriction coupling is weak. With increasing anisotropic electrostriction coupling, the vortex disappears and is replaced by complex flux-closure structures, which are formed in the equatorial plane and transform into an elongated vortex with a central 180-degree domain wall near the core poles. This complex domain morphology develops in the core due to the anisotropic electrostriction, and the flexoelectric coupling leads to an additional curvature and twist of the polarization isosurfaces. In contrast to this, FEM performed for a core covered with a rigid shell shows that, at room temperature, the anisotropic elastic properties of the shell can stabilize vortex-like structures with three flux-closure domains, which gradually cross in the equatorial plane of the core and transform into 120-degree domains near the core poles. The flexoelectric coupling leads to a noticeable curling of the flux-closure domain walls. A mismatch strain compensates the curling of the flux-closure domains in the core confined by the elastically-anisotropic rigid shell. Our analysis reveals different types of topological defects, namely Bloch point structures (BPS) and Ising lines, that form in a ferroelectric core covered with a soft or rigid shell.