Influence of metastable states on collective particle diffusion in the interacting lattice gas model

We analyze a system of particles diffusing over an anisotropic crystal surface represented as a lattice gas model. Every second row of adsorption sites has higher energy and the diffusion across rows occurs via metastable states. Double occupancy is forbidden and nearest neighbors along rows interac...

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Bibliographic Details
Published in:Journal of statistical mechanics 2013-05, Vol.2013 (5), p.P05004-15
Main Authors: Mi kowski, Marcin, Za uska-Kotur, Magdalena A
Format: Article
Language:English
Subjects:
Activation energy
Density
Diffusion
Diffusion coefficient
Lattices
Mathematical models
Metastable state
Surface chemistry
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Summary:We analyze a system of particles diffusing over an anisotropic crystal surface represented as a lattice gas model. Every second row of adsorption sites has higher energy and the diffusion across rows occurs via metastable states. Double occupancy is forbidden and nearest neighbors along rows interact via repulsive or attractive couplings. A collective diffusion coefficient is derived within the framework of a variational approach. Analytic expressions are investigated as functions of metastable state energies, activation energies, interaction parameters and particle density. It is shown that the interactions of particles that reside at stable or metastable sites change the diffusion over the surface. For some parameters the diffusion coefficients along or across rows are totally changed due to the interactions between particles. Diffusion along rows can be amplified or suppressed by the particle density change for different values of the jump activation energies.
ISSN:1742-5468
1742-5468
DOI:10.1088/1742-5468/2013/05/P05004