Analysis of the Arrhenius Shape of the Diffusion Coefficient on an fcc (111) Surface
M. Mašı́n
Abstract
M. Mašı́n
Abstract
We study the temperature and coverage dependence of an effective diffusion barrier assuming an Arrhenius shape of the chemical diffusion coefficient for a system of interacting particles. The previously published model of the diffusion of an fcc (111) surface with bivariate trap is used. The presence of two nonequivalent occupation sites and interaction result in a non-Arrhenius shape of the diffusion coefficient and a coverage- and temperature-dependent effective diffusion barrier. The temperature dependence of effective energy Ea shows a minimum at low temperatures (at approximately 150 K) for strong interactions. The coverage dependence of Ea has a deep minimum in the vicinity of Θ=1/2, even in a system without interaction.
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We study the temperature and coverage dependence of an effective diffusion barrier assuming an Arrhenius shape of the chemical diffusion coefficient for a system of interacting particles. The previously published model of the diffusion of an fcc (111) surface with bivariate trap is used. The presence of two nonequivalent occupation sites and interaction result in a non-Arrhenius shape of the diffusion coefficient and a coverage- and temperature-dependent effective diffusion barrier. The temperature dependence of effective energy Ea shows a minimum at low temperatures (at approximately 150 K) for strong interactions. The coverage dependence of Ea has a deep minimum in the vicinity of Θ=1/2, even in a system without interaction.
Key concepts: Arrhenius equation, Activation energy, Effective diffusion coefficient, Diffusion, Arrhenius plot, Thermodynamics, Materials science, Bivariate analysis