Off-lattice Kinetic Monte Carlo Simulations of Strained Heteroepitaxial Growth

DOI10.1007/3-7643-7343-1_4MaRDI QIDQ3369332zbMATH OpenOpenAlexFDO

Authors F. Much, Christian Vey, Michael Biehl

Publication date 13 February 2006

Published in Multiscale Modeling in Epitaxial Growth (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0405641

zbMATH Keywords

heteroepitaxyoff-lattice kinetic Monte Carlo

Mathematics Subject Classification ID

Parametric inference under constraints (62F30) Interacting particle systems in time-dependent statistical mechanics (82C22)

Abstract: An off-lattice, continuous space Kinetic Monte Carlo (KMC) algorithm is discussed and applied in the investigation of strained heteroepitaxial crystal growth. As a starting point, we study a simplifying (1+1)-dimensional situation with inter-atomic interactions given by simple pair-potentials. The model exhibits the appearance of strain-induced misfit dislocations at a characteristic film thickness. In our simulations we observe a power law dependence of this critical thickness on the lattice misfit, which is in agreement with experimental results for semiconductor compounds. We furthermore investigate the emergence of strain induced multilayer islands or "Dots" upon an adsorbate wetting layer in the so-called Stranski-Krastanov (SK) growth mode. At a characteristic kinetic film thickness, a transition from monolayer to multilayer islands occurs. We discuss the microscopic causes of the SK-transition and its dependence on the model parameters, i.e. lattice misfit, growth rate, and substrate temperature.

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(10)

• Fast kinetic Monte Carlo simulation of strained heteroepitaxy in three dimensions
• Approximating off-lattice kinetic Monte Carlo
• A kinetic Monte Carlo method on super-lattices for the study of the defect formation in the growth of close packed structures
• Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth
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• Quasicontinuum Monte Carlo Simulation of Multilayer Surface Growth
• Computation of strained epitaxial growth in three dimensions by kinetic Monte Carlo
• Inverted list kinetic Monte Carlo with rejection applied to directed self-assembly of epitaxial growth
• Multiscale diffusion Monte Carlo simulation of epitaxial growth
• Lattice Gas Models and Kinetic Monte Carlo Simulations of Epitaxial Growth

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