Surface effect in kinetic lattice monte carlo without system constraints

Ever-decreasing semiconductor device fabrication demands atomistic simulations. Kinetic Monte Carlo (KMC) simulations have been used widely for thermal annealing after ion implantation into crystalline materials [l]. KMC has an advantage of spanning the annealing time scale over molecular dynamics. Usually in KMC the surface is a perfect sink for mobile defects, that is, defects that go beyond z = 0 vanish from the simulation. However, it has been suggested that surface emission should also be considered for transient enhanced diffusion.