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arxiv: 0802.0653 · v1 · submitted 2008-02-05 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

Electronic correlations decimate the ferroelectric polarization of multiferroic HoMn2O5

classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords electronicpolarizationferroelectricmultiferroiccorrelationsdecimatelatticeaccordance
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We show that electronic correlations decimate the intrinsic ferroelectric polarization of the recently discovered class of multiferroic manganites RMn$_2$O$_5$, where R is a rare earth element. Such is manifest from {\it ab initio} bandstructure computations that account for the strong local Coulomb interactions between the manganese 3d electrons --the root of magnetism in these materials. When including these the computed electronic, magnetic and lattice structure of multiferroic HoMn$_2$O$_5$ results in an amplitude and direction of polarization that is in accordance with experiment. The microscopic mechanism behind the decimation is a near cancellation of the ionic polarization induced by ferroelectric lattice displacements and the electronic one caused by valence charge redistributions.

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