Zig-zag charged domain walls in ferroelectric PbTiO${}_3$

Abstract

We report a theoretical investigation of a charged 180${}^{\circ }$ domain wall in ferroelectric PbTiO${}_3$, compensated by randomly distributed immobile charge defects. For this we utilize atomistic shell-model simulations and continuous phase-field simulations in the framework of the Ginzburg-Landau-Devonshire model. We predict that domain walls form a zig-zag pattern and we discuss its properties in a broad interval of compensation-region widths, ranging from a couple to over a hundred nanometers.

References in corpus (3)

• Conduction at domain walls in insulating Pb(Zr${}_{0.2}$Ti${}_{0.8}$)O${}_3$ thin films
• First-principles based Landau-Devonshire potential for BiFeO${}_3$
• First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180${}^{\circ }$ domain walls in PbTiO${}_3$ ferroelectric thin films

Cited by in corpus (2)

• Influence of a Realistic Multiorbital Band Structure on Conducting Domain Walls in Perovskite Ferroelectrics
• Dynamics of Conducting Ferroelectric Domain Walls