Ferroelectricity driven by the noncentrosymmetric magnetic ordering in multiferroic TbMn(2)O(5): a first-principles study.

The ground state structural, electronic, and magnetic properties of multiferroic TbMn(2)O(5) are investigated via first-principles calculations. We show that the ferroelectricity in TbMn(2)O(5) is driven by the noncentrosymmetric magnetic ordering, without invoking the spin-orbit coupling and noncollinear spins. The intrinsic electric polarization in this compound is calculated to be 1187 nC cm(-2), an order of magnitude larger than previously thought.