Prediction of high frequency intrinsic localized modes in Ni and Nb

Abstract

It is found that in some metals an intrinsic localized mode may exist with frequency above the top of the phonon spectrum. The necessary condition, requiring sufficiently high ratio of quartic to cubic anharmonicity may be fulfilled because of screening of the interaction between ions by free electrons. Starting from the known literature values of the pair potentials we have found that in Ni and Nb the derived localized mode condition is fulfilled. MD simulations of the nonlinear dynamics of Ni and Nb confirmed that high frequency ILMs may exist in these metals.