G. Pastore et al., PROBING STRUCTURAL HOLES IN DISORDERED IONIC SYSTEMS, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 20(9), 1998, pp. 1337-1344
Statistical-mechanical equations for pair correlations in a partly que
nched ionic system are used to evaluate the structure taken by an anne
aled fluid of cations permeating a quenched disordered matrix of anion
s. Two types of structural information are obtained: 1) the structural
holes in the matrix which are preferentially occupied by the annealed
fluid are selected through the choice of the cation-anion potential;
and 2) the correlations between pairs of such structural holes emerge
by varying the concentration of the annealed fluid. Illustrations are
presented for disordered states of models of NaCl and CuCl. The possib
le usefulness of this method of structural analysis for models of ioni
c glasses is briefly discussed.