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Kinetic Monte Carlo simulation of strained heteroepitaxial growth with intermixing

  • Author(s): Baskaran, Arvind
  • Devita, Jason
  • Smereka, Peter
  • et al.

An efficient method for the simulation of strained heteroepitaxial growth with intermixing using kinetic Monte Carlo is presented. The model used is based on a solid-on-solid bond counting formulation in which elastic effects are incorporated using a ball and spring model. While idealized, this model nevertheless captures many aspects of heteroepitaxial growth, including nucleation, surface diffusion, and long-range effects due to elastic interaction. The algorithm combines a fast evaluation of the elastic displacement field with an efficient implementation of a rejection-reduced kinetic Monte Carlo based on using upper bounds for the rates. The former is achieved by using a multigrid method for global updates of the displacement field and an expanding box method for local updates. The simulations show the importance of intermixing on the growth of a strained film. Further, the method is used to simulate the growth of self-assembled stacked quantum dots.

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