Diffusion of particles over triangular inhomogeneous lattice with two non-equivalent sites

Abstract

We investigate the diffusion of particles adsorbed on a triangular lattice with deep and shallow sites. It is shown that the character of the particle migration depends substantially on the relative jump rates from the deep and shallow sites. The site inhomogeneity imposes specific correlation betweeen successive jumps: particles perform pairs of slow and fast jumps. General analytical expressions have been derived for the chemical and jump diffusion coefficients. We have calculated coverage dependencies of the diffusion coefficients and some thermodynamic quantities for different lateral interactions between the particles. The analytical data have been compared with the numerical data obtained by kinetic Monte Carlo simulations. The agreement between the results obtained by these quite different approaches is found to be very satisfactory.