Switchable Electric Dipole from Polaron Localization in Dielectric Crystals.

Abstract

Ferroelectricity in crystals is associated with the displacement of ions or rotations of polar units. Here we consider the dipole created by donor doping (D^{+}) and the corresponding bound polaron (e^{-}). A dipole of 6.15Debye is predicted, from Berry phase analysis, in the Ruddlesden-Popper phase of Sr_{3}Ti_{2}O_{7}. A characteristic double-well potential is formed, which persists for high doping densities. The effective Hubbard U interaction can vary the defect state from metallic, a two-dimensional polaron, through to a zero-dimensional polaron. The ferroelectriclike behavior reported here is localized and distinct from conventional spontaneous lattice polarization.