Collective modes in liquid binary alloys. An ab initio molecular dynamics study of theLiMg and LiBa alloys

Abstract

We report a study on several structural and dynamical properties of the liquid Li–Mg andLi–Ba alloys. The study has been carried out by means of the orbital free ab initiomolecular dynamics method, combined with local ionic pseudopotentials constructedwithin the same framework. The results show good agreement with the availableexperimental data, accounting fairly well for the different ordering tendenciesexhibited by these alloys. We analyse the dependence of the longitudinal andtransverse collective modes on the concentration and the mass ratio of the alloy,with the latter ranging from to .