Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Abstract

Ferroelectric domain walls are attracting broad attention as atomic-scale switches, diodes and mobile wires for next-generation nanoelectronics. Charged domain walls in improper ferroelectrics are particularly interesting as they offer multifunctional properties and an inherent stability not found in proper ferroelectrics. Here we study the energetics and structure of charged walls in improper ferroelectric YMnO${}_3$, InMnO${}_3$ and YGaO${}_3$ by first principles calculations and phenomenological modeling. Positively and negatively charged walls are asymmetric in terms of local structure and width, reflecting that polarization is not the driving force for domain formation. The wall width scales with the amplitude of the primary structural order parameter and the coupling strength to the polarization. We introduce general rules for how to engineer $n$- and $p$-type domain wall conductivity based on the domain size, polarization and electronic band gap. This opens the possibility of fine-tuning the local transport properties and design $p$-$n$-junctions for domain wall-based nano-circuitry.

arXiv comment10 pages, 6 figures, Supp. Info. available on request

References in corpus (27)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• A beginner's guide to the modern theory of polarization
• Anisotropic conductance at improper ferroelectric domain walls
• The ferroelectric transition in YMnO${}_3$ from first principles
• Conduction through 71o domain walls in BiFeO3 thin films
• Conduction at domain walls in insulating Pb(Zr${}_{0.2}$Ti${}_{0.8}$)O${}_3$ thin films
• Generation of Projector Augmented-Wave atomic data: a 71 elements validated table in the XML format
• A first-principles study of oxygen vacancy pinning of domain walls in PbTiO3
• First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite
• Conduction of topologically-protected charged ferroelectric domain walls
• The High Temperature Phase Transitions of Hexagonal YMnO3
• Landau theory of topological defects in multiferroic hexagonal manganites
• From multiferroics to cosmology: Scaling behaviour and beyond in the hexagonal manganites
• Direct observation of the proliferation of ferroelectric loop domains and vortex-antivortex pairs
• First-principles investigation of 180-degree domain walls in BaTiO_3
• Structural Domain Walls in Polar Hexagonal Manganites
• Observation of persistent centrosymmetricity in the hexagonal manganite family
• Electrical properties of improper ferroelectrics from first principles
• Unfolding of vortices into topological stripes in a multiferroic material
• Global formation of topological defects in the multiferroic hexagonal manganites
• Electronic bulk and domain wall properties in B-site doped hexagonal ErMnO${}_3$
• Conductivity contrast and tunneling charge transport in the vortex-like ferroelectric domain patterns of multiferroic hexagonal YMnO3
• Hidden order in hexagonal RMnO3 multiferroics
• Is hexagonal InMnO3 ferroelectric?
• Imaging and characterization of conducting ferroelectric domain walls by photoemission electron microscopy
• Domain wall conductivity in semiconducting hexagonal ferroelectric TbMnO${}_3$ thin films

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• Recent Progress on Multiferroic Hexagonal Rare-Earth Ferrites (h-RFeO3, R = Y,Dy-Lu)
• Post-synthesis tuning of dielectric constant via ferroelectric domain wall engineering
• Effect of the depolarizing field on the domain structure of an improper ferroelectric
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