Modeling of nonequilibrium surface growth by a limited mobility model with distributed diffusion length
| Autor: | Thomas Martynec, Sabine H. L. Klapp |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Statistical Mechanics (cond-mat.stat-mech) Gaussian Non-equilibrium thermodynamics FOS: Physical sciences Computational Physics (physics.comp-ph) 01 natural sciences 010305 fluids & plasmas symbols.namesake Condensed Matter::Materials Science 0103 physical sciences Cluster (physics) symbols Particle Statistical physics Kinetic Monte Carlo Diffusion (business) 010306 general physics Saturation (chemistry) Displacement (fluid) Physics - Computational Physics Condensed Matter - Statistical Mechanics |
| DOI: | 10.48550/arxiv.1903.08439 |
| Popis: | Kinetic Monte-Carlo (KMC) simulations are a well-established numerical tool to investigate the time-dependent surface morphology in molecular beam epitaxy (MBE) experiments. In parallel, simplified approaches such as limited mobility (LM) models characterized by a fixed diffusion length have been studied. Here, we investigate an extended LM model to gain deeper insight into the role of diffusional processes concerning the growth morphology. Our model is based on the stochastic transition rules of the Das Sarma-Tamborena (DT) model, but differs from the latter via a variable diffusion length. A first guess for this length can be extracted from the saturation value of the mean-squared displacement calculated from short KMC simulations. Comparing the resulting surface morphologies in the sub- and multilayer growth regime to those obtained from KMC simulations, we find deviations which can be cured by adding fluctuations to the diffusion length. This mimics the stochastic nature of particle diffusion on a substrate, an aspect which is usually neglected in LM models. We propose to add fluctuations to the diffusion length by choosing this quantity for each adsorbed particle from a Gaussian distribution, where the variance of the distribution serves as a fitting parameter. We show that the diffusional fluctuations have a huge impact on cluster properties during submonolayer growth as well as on the surface profile in the high coverage regime. The analysis of the surface morphologies on one- and two-dimensional substrates during sub- and multilayer growth shows that the LM model can produce structures that are indistinguishable to the ones from KMC simulations at arbitrary growth conditions. Comment: 15 pages, 16 figures |
| Databáze: | OpenAIRE |
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