A KINETIC LATTICE-GAS MODEL FOR THE TRIANGULAR LATTICE WITH STRONG DYNAMIC CORRELATIONS .1. SELF-DIFFUSION

Authors
Citation
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
Citations number
25
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09538984
Volume
6
Issue
38
Year of publication
1994
Pages
7633 - 7653
Database
ISI
SICI code
0953-8984(1994)6:38<7633:AKLMFT>2.0.ZU;2-G
Abstract
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.