Electronic Correlations Decimate the Ferroelectric Polarization of Multiferroic HoMn2O5

Giovannetti, Gianluca and Brink van den, Jeroen (2008) Electronic Correlations Decimate the Ferroelectric Polarization of Multiferroic HoMn2O5. Physical Review Letters, 100 (22). p. 227603. ISSN 0031-9007

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Abstract:	We show that electronic correlations decimate the intrinsic ferroelectric polarization of multiferroic manganites RMn2O5, where R is a rare earth element. Such is manifest from ab initio band structure computations that account for the Coulomb interactions between the manganese 3d electrons—the root of magnetism in RMn2O5. Including these leads to an amplitude and direction of polarization of HoMn2O5 that agree with experiment. The decimation is caused by a near cancellation of the ionic polarization induced by the lattice and the electronic one due to valence charge redistributions.
Item Type:	Article
Copyright:	© 2008 American Physical Society
Research Group:	Computational Materials Science (CMS)
Link to this item:	http://purl.utwente.nl/publications/59249
Official URL:	http://dx.doi.org/10.1103/PhysRevLett.100.227603
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