The kinetic Monte Carlo Simulation scheme of the homoepicaxial growth of   GaAs(001) for heterostructural growth on GaAs(001) substrate
  The simulation scheme for heterostructural growth of compound semiconductors is presented based on the kinetic Monte Carlo method. The sheme is designed as simple as possible in order to apply it for any heteroepitaxial growth on GaAs(001) substrate. The parameters used in the simulation are determined with the first-principles calculation to reproduce experimental RHEED intensity curves for homoepitaxial growth of GaAs(001). 
Akira Ishii, Masatoshi Tsukao, Natsue Toda, and Shunsuke Oshima