Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
      • Scientific Reports
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information

Just another WordPress site - Ruhr-Universität Bochum

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

H. Wijekoon, P. Hirel, A. Grünebohm

Physical Review B, 113, 144108, (2026)

DOI: 10.1103/jrql-63kl

Download: BibTEX

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.

back
{"type":"article", "name":"h.wijekoon20264", "author":"H. Wijekoon and P. Hirel and A. Grünebohm", "title":"Ferroelectric switching at edge dislocations in BaTiO3 modeled at the atomic scale", "journal":"Physical Review B", "volume":"113", "OPTnumber":"", "OPTmonth":"4", "year":"2026", "OPTpages":"144108", "OPTnote":"", "OPTkey":"defects; ferroelectrics; strain;", "DOI":"10.1103/jrql-63kl"}
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N