First-principles theory of magnetically induced ferroelectricity in TbMnO3
Department of Physics and Astronomy, Rutgers University, Piscataway, NJ, 08854, USA
Corresponding author: a email@example.com
Revised: 18 May 2009
Published online: 19 June 2009
We study the polarization induced via spin-orbit interaction by a magnetic cycloidal order in orthorhombic TbMnO3 using first-principle methods. The case of magnetic spiral lying in the b-c plane is analyzed, in which the pure electronic contribution to the polarization is shown to be small. We focus our attention on the lattice-mediated contribution, and study it's dependence on the Coulomb interaction parameter U in the LDA+U method and on the wave-vector of the spin spiral. The role of the spin-orbit interaction on different sites is also analyzed.
PACS: 75.80.+q – Magnetomechanical and magnetoelectric effects, magnetostriction / 77.80.-e – Ferroelectricity and antiferroelectricity
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2009