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We have calculated the nucleation region (NR) location of Si nanocrystal grains prepared by pulsed laser ablation (PLA) with fluence of 4 J/cm2 in 10 Pa gas at room temperature, and ambient gases were He, Ne, and Ar, respectively. Results of calculation indicated that NR width in Ne gas was narrowest, while it was widest in He gas. Maximum mean size of grains deposited on substrates under ablated spot, which were placed horizontally, was the smallest in Ne gas. It would be attribute to more effective energy transfer during the process of collision when atomic mass of Si and ambient gas Ne are more close to each other. In this work, an additional gas flow with the same element as ambient gas was introduced, which is vertical to the plume axis at different lateral positions above ablated spot.

We simulated the nucleation and growth of Si nanoparticles produced by pulse laser deposition using Monte Carlo method at the molecular (microscopic) level. In the model, the mechanism and thermodynamic conditions of nucleation and growth of Si nanoparticles were described. In a real physical scale of target-substrate configuration, the model was used to analyze the average size distribution of Si nanoparticles in argon ambient gas and the calculated results are in agreement with the experimental results.