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 and c(2×2) phases formed by Na adatoms at room temperature on the Al(111) and Al(100) 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. [Copyright &y& Elsevier]