Interplay between atomic and electronic structure in metallic glasses: a first principles investigation

Self-consistent calculations of the electronic structure of Ca-Mg and Ca-Al glasses are carried out on realistic models of the atomic structure derived from first principles interatomic potentials. In addition to an excellent agreement with the various experimental data, the results demonstrate the interrelation between the differences in the topological short-range order and the unusual significant differences in the electronic structure of these glasses.