Abstract
Diffusion parameters of Si and C on (0001) and (0001¯) SiC surfaces were estimated using an effective method based on Kinetic Monte Carlo (KMC) simulations involving activation barriers for atomic migration calculated using Nudged Elastic Band – Climbing Image algorithm implemented with Analytic Bond-Order potentials derived for the SiC. Simulated was a model crystal/vacancy “surface diffusion couple” and the KMC results were analysed within the Matano formalism. The MC-time was rescaled into real-time units by comparing the results of KMC simulations of Si (001) surface diffusion in Si crystal with the experimental data.
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