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Microscopic Origin of Large Negative Magnetoelectric Coupling in Sr1/2Ba1/2MnO3 (Articolo in rivista)

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Microscopic Origin of Large Negative Magnetoelectric Coupling in Sr1/2Ba1/2MnO3 (Articolo in rivista) (literal)

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Giovannetti, G.; Kumar, S.; Ortiz, C.; Capone, M., van den Brink, J (2012)
Microscopic Origin of Large Negative Magnetoelectric Coupling in Sr1/2Ba1/2MnO3
in Physical review letters; APS, American physical society, College Park, MD (Stati Uniti d'America)
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1CNR-IOM-Democritos National Simulation Centre and International School for Advanced Studies (SISSA), Via Bonomea 265, Trieste I-34136, Italy 2Institute for Theoretical Solid State Physics, IFW-Dresden, PF 270116, Dresden, Saxony 01171, Germany 3Indian Institute of Science Education and Research(IISER) Mohali, Knowledge City, Sector 81, Mohali, Punjab 140306, India (literal)

Titolo

Microscopic Origin of Large Negative Magnetoelectric Coupling in Sr1/2Ba1/2MnO3 (literal)

Abstract

With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr1/2Ba1/2MnO3 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. (literal)

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