Magnetic properties of La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions: chemically abrupt versus atomic intermixed interface

Abstract

Using first-principles density-functional calculations, we address the magnetic properties of the ferromagnet/antiferromagnet La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions, and investigate possible driving mechanisms for a ferromagnetic (FM) interfacial ordering of the Fe spins recently observed experimentally. We find that the chemically abrupt defect-free La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunction displays, as ground state, an ordering with compensated Fe spins. Cation Fe/Mn intermixing at the interface tends to favour, instead, a FM interfacial order of the Fe spins, coupled antiferromagnetically to the bulk La(0.67)Sr(0.33)MnO3 spins, as observed experimentally. Such trends are understood based on a model description of the energetics of the exchange interactions.

6 pages, 6 figures

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Suppression of Octahedral Tilts and Associated Changes of Electronic Properties at Epitaxial Oxide Heterostructure Interfaces
• Magnetoelectric coupling at the interface of BiFeO3/La0.7Sr0.3MnO3 multilayers

Cited by in corpus (4)

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• Impact of magnetization and hyperfine field distribution on high magnetoelectric coupling strength in BaTiO${}_3$-BiFeO${}_3$ multilayers
• High resolution depth profiling using near-total-reflection hard X-ray photoelectron spectroscopy