Lattice kinetic Monte Carlo simulation of epitaxial growth of silicon thin films in H2/SiH4 chemical vapor deposition systems

- A simulation tool to reproduce epitaxial growth of silicon is presented.
- The simulator is based on the kinetic Monte Carlo technique applied to lattice sites.
- Transition state theory is used to model the different surface reactions.
- Besides silane, additional precursor gases can be analogously implemented.
- Resulting growth kinetics and shapes present good agreement with actual experiments.

The use of lattice kinetic Monte Carlo techniques for reproducing epitaxial growth of silicon using H2/SiH4 chemistry is described in this work. The implementation of the surface mechanisms is limited to silane and hydrogen adsorption, surface dissociation of higher order hydrides and recombinative hydrogen desorption. Good agreement between simulation and experimental results available in the literature was obtained for H2 desorption peak positions, equilibrium hydrogen coverages and Si growth rates. The formation of (111) and (113) planes is also reproduced, however no evidence of (131) was found even at 850° C, and (119) planes were not formed at the same position than actual grown structures.