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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 3: Multiferroics and Magnetoelectric Coupling (joint session MA/KFM)
KFM 3.2: Vortrag
Montag, 17. März 2025, 09:45–10:00, H16
Engineering magnetic domain wall energies in BiFeO3 via epitaxial strain: A route to assess skyrmionic stabilities in multiferroics from first principles — •Sebastian Meyer1,2, Bin Xu3,4, Laurent Bellaiche4, and Bertrand Dupé1,2 — 1Université de Liège, Belgium — 2Fonds de la Recherche Scientifique, Belgium — 3Soochow University, China — 4University of Arkansas, USA
Epitaxial strain has emerged as a powerful tool to tune magnetic and ferroelectric properties in functional materials such as in multiferroic perovskite oxides. Here, we use first-principles calculations to explore the evolution of magnetic interactions in the antiferromagnetic multiferroic BiFeO3 (BFO), one of the most promising multiferroics for future technology [1]. The epitaxial strain in BFO is varied between ε ∈ [−2%, +2%]. We find that both strengths of the exchange interaction and Dzyaloshinskii-Moriya interaction decrease linearly from compressive to tensile strain whereas the uniaxial magnetocrystalline anisotropy lifts the energy degeneracy of the (111) easy plane of bulk BFO. From the trends of magnetic interactions we can explain the destruction of cycloidal order in compressive strain as observed in experiments due to the increasing anisotropy energy. For tensile strain, we predict that the ground state remains unchanged as a function of strain. By using the domain wall energy, we envision a region where isolated chiral magnetic textures might occur as a function of strain [2].
[1] R. Ramesh, N. Spaldin, Nature Mater 6, 21-29 (2007)
[2] S. Meyer et al., Phys. Rev. B 109, 184431 (2024)
Keywords: Multiferroics; Skyrmions; Domain Walls; Dzyaloshinskii-Moriya interaction; Epitaxial Strain