2004/05/27 by Michael Biehl, Biehl, Michael, Florian Much +3
Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Statistical Mechanics (cond-mat.stat-mech) #Theoretical and Computational Physics #cond-mat.mtrl-sci #cond-mat.stat-mech #nanoparticles nucleation surface interactions
paper · pdf · doi:10.48550/arxiv.cond-mat/0405641
17 pages, 6 figures Invited talk presented at the MFO Workshop "Multiscale modeling in epitaxial growth" (Oberwolfach, Jan. 2004). Proceedings to be published in "International Series in Numerical Mathematics" (Birkhaeuser)
arxiv created 2004/05/27 · openalex publication_date 2004/05/27 · arxiv updated 2009/12/01 · openalex created_date 2022/10/05 · openalex updated_date 2026/07/28
An off-lattice, continuous space Kinetic Monte Carlo (KMC) algorithm is\ndiscussed and applied in the investigation of strained heteroepitaxial crystal\ngrowth. As a starting point, we study a simplifying (1+1)-dimensional situation\nwith inter-atomic interactions given by simple pair-potentials. The model\nexhibits the appearance of strain-induced misfit dislocations at a\ncharacteristic film thickness. In our simulations we observe a power law\ndependence of this critical thickness on the lattice misfit, which is in\nagreement with experimental results for semiconductor compounds. We furthermore\ninvestigate the emergence of strain induced multilayer islands or "Dots" upon\nan adsorbate wetting layer in the so-called Stranski-Krastanov (SK) growth\nmode. At a characteristic kinetic film thickness, a transition from monolayer\nto multilayer islands occurs. We discuss the microscopic causes of the\nSK-transition and its dependence on the model parameters, i.e. lattice misfit,\ngrowth rate, and substrate temperature.\n