Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses

TL;DR

This paper numerically verifies the vibrational isocoordinate rule in chalcogenide glasses, showing that certain vibrational properties are primarily determined by average coordination rather than composition.

Contribution

It provides numerical evidence supporting the vibrational isocoordinate rule for vibrational density of states in chalcogenide glasses, highlighting the role of average coordination.

Findings

Vibrational properties are largely independent of composition at fixed average coordination.

Numerical results support the experimental isocoordinate rule.

Vibrational density of states correlates strongly with average coordination.

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 these properties are nevertheless almost independent of the composition at given average coordination. Here, we report on some numerical verification of this experimental rule as applied to vibrational density of states.