Export citation

Export citation

Choose format for download:

Download Citation

    Ferroelectric switching at edge dislocations in BaTiO3 modeled at the atomic scale

    Himal Wijekoon1,2,3,*, Pierre Hirel4, and Anna Grünebohm1,2,3,†

    • *Contact author: himal.wijekoon@rub.de
    • †Contact author: anna.grünebohm@rub.de

    Phys. Rev. B 113, 144108 – Published 15 April, 2026

    DOI: https://doi.org/10.1103/jrql-63kl

    Abstract

    Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure. However, an atomistic picture of the influence of one important class of defects—dislocations—on ferroelectric switching is missing. This is an important gap in knowledge as dislocations cannot be avoided at interfaces and can also be engineered by plastic deformation at high temperatures. Using atomistic simulations, we show how the cores of 〈100〉 edge dislocations in BaTiO3 can either act as nucleation centers for ferroelectric switching or pin walls depending on the direction of the applied field. The coupling between the electric field and polarization is strongest when the field is applied parallel to the Burgers vector of the dislocation.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation