Nonlinear travelling waves in φ6 polarizable model

Abstract

We present a complete theoretical analysis of the periodic and non-periodic travelling waves in a diatomic chain model, in the continuum limit by incorporating nonlinear sixth order polarization potential (φ6) at the anion site. We have formulated a nonlinear lattice dynamical theory in which various energy curves are obtained for different types and magnitudes of the core-shell force constants. For periodic solutions, we have obtained two types of commensurate wave amplitudes which propagate in the opposite direction with respect to each other. For nonperiodic solutions, we have obtained various travelling excitations such as kink, antikink, excitons etc. for different values of the mass ratio and velocity parameter. The dipole moment per unit charge for SrTiO3 has been calculated and it is found that the nonlinear excitations in this model carry large amount of energy as compared to those obtained from harmonic and anharmonic optical phonons in the φ4-polarizable model.