Molecular-Dynamics-Based Profile Evolution Simulation for Sub-10-nm Si Processing Technology

Fully atomistic profile evolution simulations in dry etching processes have been demonstrated by classical molecular dynamics (MD) simulations. In our first attempt, this technique was applied to 5 nm Si trench etching by halogen (F, Cl, and Br) mono-energetic beams. The trench profile evolutions were dynamically reproduced on the atomic scale and qualitatively agreed with our common view based on the chemical properties of the injected species. This MD-based ab-initio approach is not only a baseline to verify the existing continuum-model-based simulation but a tool to estimate electrical performance including the effects of damaging layers and process margins/yields in the sub-10-nm processing rules.