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Ferroelectricity driven by the non-centrosymmetric magnetic ordering in multiferroic TbMn_2O_5: a first-principles study

arXiv:0704.2908 · doi:10.1103/PhysRevLett.99.177202

Abstract

The ground state structural, electronic and magnetic properties of multiferroic TbMnO are investigated via first-principles calculations. We show that the ferroelectricity in TbMnO is driven by the non-centrosymmetric magnetic ordering, without invoking the spin-orbit coupling and non-collinear spins. The {\it intrinsic} electric polarization in this compound is calculated to be 1187 cm, an order of magnitude larger than previously thought.

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Ferroelectricity driven by the non-centrosymmetric magnetic ordering in multiferroic TbMn_2O_5: a first-principles study · wovepaper