LATTICE DYNAMICS OF TRANSITION METAL OXIDE MnO USING THREE BODY FORCE SHELL MODEL

Abstract

The phonon dispersion curve for the transition metal oxide viz. manganese oxide at room temperature has been calculated for the first time, assuming Mn ++ and O −− ions are highly polarisable. The three body force shell model employed here takes care of the effect of many body interactions in the lattice potential. The aim of this paper is to treat the various interactions between the ions in a more general way without making them numerically equal. The values of the phonon frequencies evaluated by the new approach are in general, in good agreement with the experimental values.