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With a combined ab initio density functional and model Hamiltonian approachwe establish that in the recently discovered multiferroic phase of themanganite Sr$_{1/2}$Ba$_{1/2}$MnO$_{3}$ the polar distortion of Mn and O ionsis stabilized via enhanced in-plane Mn-O hybridizations. The magneticsuperexchange interaction is very sensitive to the polar bond-bendingdistortion, and we find that this dependence directly causes a strongmagnetoelectric coupling. This novel mechanism for multiferroicity isconsistent with the experimentally observed reduced ferroelectric polarizationupon the onset of magnetic ordering.

Microscopic origin of large negative magneto-electric coupling in Sr$_{1/2}$Ba$_{1/2}$MnO$_{3}$