Physics – Condensed Matter – Materials Science
Scientific paper
2012-02-09
Physics
Condensed Matter
Materials Science
Scientific paper
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.
Capone Massimo
Giovannetti Gianluca
Kumar Sanjeev
Ortix Carmine
van den Brink Jeroen
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