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A new kinetic lattice Monte Carlo modeling framework for the source-drain selective epitaxial growth process

We have developed a new kinetic lattice Monte Carlo modeling framework for Si/Ge selective epitaxial growth based on neighbor binding interactions within the third-nearest-neighbor range of the diamond lattice. We find that first- and second-nearest-neighbor interactions contribute significantly to the faceting between {100} and {111}, while the third-nearest-neighbor interaction is the cause of {311} facet formation. The second-nearest-neighbor interaction also facilitates lateral growth and island formation within a plane. The simulated growth kinetics and shapes are in good agreement with experimental data.