Computation of strained epitaxial growth in three dimensions by kinetic Monte Carlo

DOI10.1016/J.JCP.2005.10.008zbMATH Open1090.82031arXivcond-mat/0501651OpenAlexW1996818261MaRDI QIDQ2489691FDOQ2489691

Peter Smereka, Giovanni Russo

Publication date: 28 April 2006

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: A numerical method for computation of heteroepitaxial growth in the presence of strain is presented. The model used is based on a solid-on-solid model with a cubic lattice. Elastic effects are incorporated using a ball and spring type model. The growing film is evolved using Kinetic Monte Carlo (KMC) and it is assumed that the film is in mechanical equilibrium. The strain field in the substrate is computed by an exact solution which is efficiently evaluated using the fast Fourier transform. The strain field in the growing film is computed directly. The resulting coupled system is solved iteratively using the conjugate gradient method. Finally we introduce various approximations in the implementation of KMC to improve the computation speed. Numerical results show that layer-by-layer growth is unstable if the misfit is large enough resulting in the formation of three dimensional islands.

Full work available at URL: https://arxiv.org/abs/cond-mat/0501651

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zbMATH Keywords

numerical analysiskinetic Monte Carloepitaxial growthstrain stateelastic effects

Mathematics Subject Classification ID

Structured surfaces and interfaces, coexistent phases (74A50) Statistical mechanics of semiconductors (82D37)

Cites Work

• Title not available (Why is that?)
• The growth of crystals and the equilibrium structure of their surfaces
• A Kinetic Monte Carlo method for the simulation of heteroepitaxial growth

Cited In (15)

• Kinetic Monte Carlo simulation of strained heteroepitaxial growth with intermixing
• Multiscale diffusion Monte Carlo simulation of epitaxial growth
• Analysis of an energy localization approximation applied to three-dimensional kinetic Monte Carlo simulations of heteroepitaxial growth
• An energy localization principle and its application to fast kinetic Monte Carlo simulation of heteroepitaxial growth
• Off-lattice Kinetic Monte Carlo Simulations of Strained Heteroepitaxial Growth
• Fast kinetic Monte Carlo simulation of strained heteroepitaxy in three dimensions
• Growth, structure and pattern formation for thin films
• Lattice Gas Models and Kinetic Monte Carlo Simulations of Epitaxial Growth
• Asymptotic analysis of boundary layers in a repulsive particle system
• Quasicontinuum Monte Carlo Simulation of Multilayer Surface Growth
• Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth
• A two scale model for liquid phase epitaxy with elasticity: An iterative procedure
• Approximating Off-Lattice Kinetic Monte Carlo
• Well-posedness of a two-scale model for liquid phase epitaxy with elasticity
• Combined probabilistic algorithm for solving high dimensional problems

Uses Software

• FFTW

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