Modeling and Simulation of Atomic Layer Deposition

Two models for ALD of TiN and TiO2 are incorporated in an in-house level set based topography simulator, ViennaTS. While the models are based on 1D surface kinetics, here they are extended to handle 2D and 3D geometries by applying single particle Monte Carlo ray tracing. The particle flux and sticking coefficients are used to calibrate the surface adsorption of precursors and ultimately to calculate the resulting surface velocity. The TiO2 ALD model is based on the use of TTIP and H2O precursors and includes all surface kinetics taking place during deposition. In contract, the model for the deposition of TiN is somewhat simplified by ignoring the purge steps which are introduced after surface exposure to either precursor. The simplified model is then applied to reproduce experimental results from plasma enhanced ALD process for TiN deposition from TDMAT and H2-N2 plasma precursors.