Pyramidal charged domain walls in ferroelectric BiFeO$_3$

TL;DR

This paper investigates the physical origins of zigzag domain structures in BiFeO₃ using phase-field simulations, revealing defect charge effects and suggesting pathways for engineering nanoscale domain patterns for advanced applications.

Contribution

It uncovers the role of homogeneous defect charges in forming pyramidal domain structures in BiFeO₃ through phase-field modeling.

Findings

Defect charges induce zigzag domain patterns.

Simulation results match experimental observations.

Potential for engineering nanoscale domain structures.

Abstract

Domain structures play a crucial role in the electric, mechanical and other properties of ferroelectric materials. In this study, we uncover the physical origins of the enigmatic zigzag domain structure in the prototypical multiferroic material BiFeO$_3$. Using phase-field simulations within the Landau-Ginzburg-Devonshire framework, we demonstrate that spatially-homogeneous defect charges result in domain structures that closely resemble those observed experimentally. The acquired understanding of the underlying physics of pyramidal-domain formation may enable the engineering of new materials with self-assembled domain structures exhibiting defined domain periodicity at the nanometre scale, opening avenues for advanced applications.