Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles

• Published in: Science and technology of advanced materials Vol. 25; no. 1; p. 2391268
• Main Authors: Yatmeidhy, Amran Mahfudh, Gohda, Yoshihiro
• Format: Journal Article
• Language: English
• Published: United States Taylor & Francis Ltd 2024; Taylor & Francis; Taylor & Francis Group
• Subjects: Anisotropy; Broken symmetry; Electric fields; Energy; Energy bands; Ferroelectric domains; Ferroelectric materials; Ferroelectricity; Ferromagnetic materials; First principles; First-principles calculations; Focus on New Methodology for Developing Innovative Materials; Heterostructures; Interfaces; Magnetic anisotropy; Materials science; Modulation; multiferroic heterostructure; Multiferroic materials; Orbit calculation; Specific energy; spin-orbit coupling; Spin-orbit interactions; Thin films; First-principles calculations; magnetic anisotropy; spin-orbit coupling; multiferroic heterostructure; ferroelectric domains
• ISSN: 1468-6996; 1878-5514
• DOI: 10.1080/14686996.2024.2391268

First-principles calculations incorporating spin-orbit coupling are presented for a multiferroic material as a ferromagnetic/ferroelectric junction. We simulate the interface effect that cannot be described by the single-phase bulk. The in-plane uniaxial magnetic-anisotropy of Co FeSi is observed when the ferroelectric domain is polarized parallel to the interface, whereas the magnetic anisotropy is significantly different in the plane for the electrical polarization perpendicular to the interface. While the single-phase effect dominates the main part of the modulation of the magnetic anisotropy, symmetry breaking due to the interfacial effect is observed in the ferromagnetic ultrathin films. The origin of the modulated magnetic-anisotropy can be attributed to the shifting of specific energy bands in Co FeSi when the ferroelectric domain is modified.