AI Article Synopsis
- The study uses advanced computational methods to analyze the multiferroic phase of Sr(1/2)Ba(1/2)MnO3, revealing that polar distortions of manganese and oxygen ions are stabilized through improved hybridization.
- It finds that the magnetic interactions in the material are highly affected by the bending distortions of these polar bonds, leading to a significant magnetoelectric coupling.
- This new mechanism for multiferroicity aligns with observations of decreased ferroelectric polarization when magnetic ordering starts.
Article 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)MnO3 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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| http://dx.doi.org/10.1103/PhysRevLett.109.107601 | DOI Listing |
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