Atomic ordering in liquid Se by unconstrained reverse Monte Carlo simulation

A three-dimensional model of the atomic arrangement in liquid Se has been constructed by the reverse Monte Carlo method without applying structural constraints. The model has been analysed in terms of ring size statistics, and near-atomic-neighbour and bond-angle distributions. It has been found that, on an atomic scale, liquid Se may well be described as a branched network of short chains which also involves many rings. The relationship between the structural features of liquid Se, revealed by the present reverse Monte Carlo simulations, and those of solid crystalline and amorphous Se, previously well established, has also been discussed.