Microscopic origin of large negative magneto-electric coupling in Sr${}_{1/2}$Ba${}_{1/2}$MnO${}_3$

Abstract

With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr${}_{1/2}$Ba${}_{1/2}$MnO${}_3$ the polar distortion of Mn and O ions is stabilized via enhanced in-plane Mn-O hybridizations. The magnetic superexchange interaction is very sensitive to the polar bond-bending distortion, and we find that this dependence directly causes a strong magnetoelectric coupling. This novel mechanism for multiferroicity is consistent with the experimentally observed reduced ferroelectric polarization upon the onset of magnetic ordering.

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• Mechanisms and origin of multiferroicity
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• Phase diagram of Sr${}_{1-x}$Ba${}_x$MnO${}_3$ as a function of chemical doping, epitaxial strain and external pressure
• A New Multiferroic State with Large Electric Polarization in Tensile Strained TbMnO3
• Electric polarization of Sr${}_{0.5}$Ba${}_{0.5}$MnO${}_3$: a multiferroic Mott insulator
• Hyperfine local probe study of alkaline-earth manganites SrMnO3 and BaMnO3
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• Ferroelectric atomic displacement in multiferroic tetragonal perovskite Sr${}_{1/2}$Ba${}_{1/2}$MnO${}_3$
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