E. Lomba et Jl. Lopezmartin, ELECTRONIC DENSITY-OF-STATES OF FLUID MIXTURES IN THE SINGLE SUPERCHAIN EFFECTIVE-MEDIUM APPROXIMATION, The Journal of chemical physics, 104(13), 1996, pp. 5244-5250
We introduce a straightforward extension to binary mixtures of Logan a
nd Winn's formalism for the determination of the electronic density of
states in disordered systems. Solutions obtained in the single superc
hain/effective medium approximation are also presented, and though ref
lecting the limitations intrinsic to the linear nature of this approxi
mation, computer simulation results for the mixture of asymmetric hard
spheres are reproduced quite satisfactorily. In particular the depend
ence of the band shape (and the width of the band gap) on the particle
size asymmetry is correctly accounted for. The implementation of effi
cient integral equation algorithms to deal with complex Ornstein-Zerni
ke equations also constitutes one of the key contributions of this wor
k and is therefore treated in depth. (C) 1996 American Institute of Ph
ysics.