Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite

Abstract

The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, are investigated using first principles density functional theory calculations. The electric polarization is found to be rather independent of strain, in striking contrast to most conventional perovskite ferroelectrics. It is also not significantly affected by oxygen vacancies, or by the combined presence of strain and oxygen vacancies. The magnetization is also unaffected by strain, however the incorporation of oxygen vacancies can alter the magnetization slightly, and also leads to the formation of Fe^{2+}. These results are discussed in light of recent experiments on epitaxial films of BiFeO_3 which reported a strong thickness dependence of both magnetization and polarization.

arXiv comment9 pages, 3 figures

References in corpus (6)

• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
• The physics of dynamical atomic charges: the case of ABO3 compounds
• Theory of polarization enhancement in epitaxial BaTiO${}_3$/SrTiO${}_3$ superlattices
• Ab initio study of the phase diagram of epitaxial BaTiO3
• Epitaxially strained [001]-(PbTiO${}_3$)${}_1$(PbZrO${}_3$)${}_1$ superlattice and PbTiO${}_3$ from first principles

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