R. V. Kulkarni and D. Stroud, Department of Physics, The Ohio State University, Columbus, Ohio 43210

We report the results of ab initio molecular dynamics simulations of liquid Ga-Ge alloys at four different concentrations. We use the plane-wave pseudopotential method to carry out the simulations. The physical quantities studied include the partial structure factors, bond-angle distributions, self-diffusion coefficients, electronic density of states and the electrical conductivity. The introduction of Ga causes a distinct reduction of the shoulder in the structure factor of pure liquid Ge. Correspondingly, the partial structure factors, pair correlation functions, and bond angle distribution functions all show behavior characteristic of simple liquid metals except at 80% Ge. The electronic density of states shows behavior consistent with the structure: it evolves from having a distinct pseudogap at low concentrations of Ga to being almost free-electron-like for high Ga concentrations. The calculated behaviour of the electrical conductivity agrees qualitatively with previous calculations based on the Faber-Ziman theory of liquid alloys. The self-diffusion coefficients D_(Ge-Ge) and D_(Ga-Ga) are consistent with previous calculations and available experiments for the pure liquids.