Structure and dynamics of a two-component metallic glass

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Abstract
The structure of a two-component metallic glass (Mg70Zn30) is described by a relaxed model structure of 800 atoms. The authors use realistic pair potentials calculated from general nonlocal pseudopotential theory, and periodic boundary conditions. The cluster has been given the shape of a regular rhombic dodecahedron, the most sphere-like space filling body. The homogeneity of the cluster is tested by the calculation of the spectrum of Einstein frequencies. The total and the two partial pair distribution functions, the corresponding structure factors S(k) and the dynamical structure factor S(k, omega ) for longitudinal and transverse waves for a whole series of k vectors are calculated. S(k, omega ) allows the determination of the range of reasonably well defined dispersion relations.