Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses

Abstract:

Many properties of alloyed chalcogenide glasses can be closely correlated with the average coordination of these compounds. This is the case, for example, of the ultrasonic constants, dilatometric softening temperature and the vibrational densities of states. What is striking, however, is that, at a given average coordination, these properties are nevertheless almost independent of the elemental composition. Here, we report on some numerical verification of this experimental rule as applied to the vibrational density of states. We find that this rule is not exact but holds qualitatively well over a wide range of compositions and local chemical correlations.