Local phonon spectra around a vacancy in copper

Abstract

In this article, some local vibration spectra are shown which were calculated in the vicinity of a vacancy in an f.c.c. metal. The calculations were carried out as if the vacancy is located both at the site of the energy minimum and in the saddle-point configuration. The saddle-point configuration has well localized vibration modes. The effect of the applied non-pair potential in comparison with the effective pair potential was also investigated. The non-pair character of the potential has an effect on the relaxation, but has no effect on the vibration spectra.