Vibrations on Al surfaces covered by sodium

Abstract

In this paper we present the results of a comparative study of vibrational and structural properties of the ordered (√3x√3) R30º and c(2 × 2) phases formed by Na adatoms at room temperature on the Al(1 1 1) and Al(1 0 0) surfaces, respectively. The surface relaxation, surface phonon dispersion, and polarization of vibrational modes are calculated using the embedded-atom method. Our calculated structural parameters are in agreement with experimental and ab initio results. The obtained vibrational frequencies compare fairly well with available experimental data.