Diffusion of particles over dynamically disordered lattice

0359396 - FZÚ 2012 RIV GB eng J - Journal Article
Tarasenko, Alexander - Jastrabík, Lubomír
Diffusion of particles over dynamically disordered lattice.
Physical Chemistry Chemical Physics. Roč. 13, č. 6 (2011), s. 2300-2306. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA AV ČR KAN301370701; GA MŠMT(CZ) 1M06002
Institutional research plan: CEZ:AV0Z10100522
Keywords : diffusion * Monte Carlo simulations * dynamic disordered lattice
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.573, year: 2011

Using kinetic Monte Carlo simulations we have investigated the diffusion of particles over a lattice with moving atoms in the framework of a simple lattice-gas model of a reconstructive surface. The particle migration over the static and dynamic lattices differs considerably.The dynamic lattice reconstruction changes substantially the particle diffusion coefficient.The Arrhenius dependencies are quantitatively different. An interesting peculiarity of the particle migration is the formation of defectons - local lattice deformations around the adsorbed particles. In certain ranges of the system parameters (jump rates of the substrate atoms and adsorbed particles) the adsorbed particles cause local displacements of the nearest substrate atoms, resulting in deeper adsorption sites and lower jump rates. Such particle self-trapping produces a characteristic minimum on the Arrhenius dependencies.
Permanent Link: http://hdl.handle.net/11104/0197190