Kinetic Monte Carlo simulations of dislocations in heteroepitaxial growth
Institut für Theoretische Physik
Am Hubland, 97074 Würzburg, Germany
Corresponding author: email@example.com
Accepted: 1 October 2001
We determine the critical layer thickness for the appearance of misfit dislocations as a function of the misfit ε between the lattice constants of the substrate and the adsorbate from Kinetic Monte Carlo (KMC) simulations of heteroepitaxial growth. To this end, an algorithm is introduced which allows the off-lattice simulation of various phenomena observed in heteroepitaxial growth (see, e.g., Politi et al. 2000 and Pimpinelli and Villain 1998) including critical layer thickness for the appearance of misfit dislocations, or self-assembled island formation. The only parameters of the model are deposition flux, temperature and a pairwise interaction potential between the particles of the system. Our results are compared with a theoretical treatment of the problem and show good agreement with a simple power law.
PACS: 07.05.Tp – Computer modeling and simulation / 61.72.Lk – Linear defects: dislocations, disclinations / 81.10.Aj – Theory and models of crystal growth; physics of crystal growth, crystal morphology and orientation
© EDP Sciences, 2001