Effect of surface ionic screening on polarization reversal scenario in ferroelectric thin films: crossover from ferroionic to antiferroionic states

Abstract

Nonlinear electrostatic interaction between the surface ions of electrochemical nature and ferroelectric dipoles gives rise to the coupled ferroionic states in nanoscale ferroelectrics. Here, we investigated the role of the surface ions formation energy value on the polarization states and polarization reversal mechanisms, domain structure and corresponding phase diagrams of ferroelectric thin films. Using 3D finite elements modeling we analyze the distribution and hysteresis loops of ferroelectric polarization and ionic charge, and dynamics of the domain states. These calculations performed over large parameter space delineate the regions of single- and poly- domain ferroelectric, ferroionic, antiferroionic and non-ferroelectric states as a function of surface ions formation energy, film thickness, applied voltage and temperature. We further map the analytical theory for 1D system onto effective Landau-Ginzburg free energy and establish the correspondence between the 3D numerical and 1D analytical results. This approach allows performing the overview of the phase diagrams of ferroionic systems and exploring the specific of switching and domain evolution phenomena.

arXiv comment40 pages, 10 figures, 2 appendices and supplementary materials

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• Reentrant polar phase induced by the ferro-ionic coupling in Bi${}_{1-x}$Sm${}_x$FeO${}_3$ nanoparticles
• High-contrast imaging of 180° ferroelectric domains by optical microscopy using ferroelectric liquid crystals
• Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications
• Predictability as a probe of manifest and latent physics: The case of atomic scale structural, chemical, and polarization behaviors in multiferroic Sm-doped BiFeO3
• Control of polarization hysteresis temperature behavior by interfacial screening in thin ferroelectric films