J. Jackle et A. Kronig, A KINETIC LATTICE-GAS MODEL FOR THE TRIANGULAR LATTICE WITH STRONG DYNAMIC CORRELATIONS .1. SELF-DIFFUSION, Journal of physics. Condensed matter, 6(38), 1994, pp. 7633-7653
Self-diffusion in a lattice-gas model with two-vacancy assisted hoppin
g on the triangular lattice is investigated, by both Monte Carlo simul
ation and analytical calculation. A very rapid decrease of the tracer-
correlation factor and marked size effects in finite lattices give evi
dence for strong dynamic correlations in both space and time at high p
article concentration. Although the decrease of the self-diffusion coe
fficient over 3.5 decades for concentrations up to c = 0.77 is best fi
tted by a power law (0.835 - c)(3.54), it is argued that the model doe
s not have a sharp dynamical phase transition with a critical concentr
ation lower than one. The argument is based on a proof of absence of p
ermanently blocked particles in infinite lattices at all concentration
s below one. The self-diffusion coefficient is calculated analytically
within a pair approximation which gives good results for lower concen
trations, but fails at the higher concentrations. The approximation is
in qualitative agreement with the Monte Carlo data for the tracer-cor
relation factor at all concentrations for a variant of the model with
one-vacancy assisted hopping, in which the dynamic correlations are le
ss pronounced.