Structural and dynamical properties of three-component chalcogenide glasses
, Ag/Ge/Se, are studied using the molecular dynamics (MD) method. Effective
potentials for GeSe2 and Ag2Se, which have already been well characterized
, are combined to describe the interatomic interactions in the ternary syst
em. The MD results for bond lengths, the static structure factor, and the v
ibrational density of states are in good agreement with neutron-scattering
results. Our results elucidate the role played by silver ions as network mo
difiers in glass-forming GeSe2 with the medium-range correlations. Upon coo
ling we observe clustering of Ag atoms which indicates a tendency toward ph
ase separation. (C) 2000 Published by Elsevier Science B.V. All rights rese
rved.