Ferro-ionic States and Domains Morphology in Hf${}_x$Zr${}_{1-x}$O${}_2$ Nanoparticles

Abstract

Unique polar properties of nanoscale hafnia-zirconia oxides (Hf${}_x$Zr${}_{1-x}$O${}_2$) are of great interest for condensed matter physics, nanophysics and advanced applications. These properties are connected (at least partially) to the ionic-electronic and electrochemical phenomena at the hafnia surface, interfaces and/or internal grain boundaries. Here we calculated the phase diagrams, dielectric permittivity, spontaneous polar and antipolar ordering, and domain structure morphology in Hf${}_x$Zr${}_{1-x}$O${}_2$ nanoparticles covered by ionic-electronic charge, originated from the surface electrochemical adsorption. We revealed that the ferro-ionic coupling supports the polar long-range order in the nanoscale Hf${}_x$Zr${}_{1-x}$O${}_2$, induces and/or enlarges the stability region of the labyrinthine domains towards smaller sizes and smaller environmental dielectric constant at low concentrations of the surface ions, and causes the transition to the single-domain ferro-ionic state at high concentrations of the surface ions. We predict that the labyrinthine domain states, being multiple-degenerated, may significantly affect the emergence of the negative differential capacitance state in the nanograined/nanocrystalline Hf${}_x$Zr${}_{1-x}$O${}_2$ films.

28 pages, 7 figures and Appendixes, Invited by the Journal of Applied Physics to the "Special Topic on Ferroic Materials, Domains, and Domain Walls: Bridging Fundamentals with Next-Generation Technology"

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Cited by in corpus (5)

• The origin of the ferroelectric-like orthorhombic phase in oxygen-deficient HfO2-y nanoparticles
• Colossal dielectric response of HfxZr1-xO2 nanoparticles
• Resistive switching and charge accumulation in Hf0.5Zr0.5O2 nanoparticles
• Sizes of Ferroelectricity Appearance and Disappearence in Nanosized Hafnia-Zirconia:Landau-type Theory
• Magnetic properties and charge transport mechanisms in oxygen-deficient HfxZr1-xO2-y nanoparticles