Ferroelectricity driven by the non-centrosymmetric magnetic ordering in multiferroic TbMn2O5: a first-principles study
Abstract
The ground state structural, electronic and magnetic properties of multiferroic TbMn2O5 are investigated via first-principles calculations. We show that the ferroelectricity in TbMn2O5 is driven by the non-centrosymmetric magnetic ordering, without invoking the spin-orbit coupling and non-collinear spins. The intrinsic electric polarization in this compound is calculated to be 1187 nC· cm-2, an order of magnitude larger than previously thought.
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