Laser‐Induced Oxidation of Silicon Using a 355 nm UV Laser and Its Molecular Dynamics Simulation

Laser‐induced oxidation of silicon under 355 nm ultraviolet (UV) pulsed laser irradiation is investigated through a combined experimental and molecular dynamics (MD) simulation approach. FT‐IR analysis confirms the formation of Si–O–Si networks on the silicon surface, with oxidation enhanced at lower scanning speeds due to increased pulse overlap and local thermal accumulation. To elucidate the underlying atomistic mechanisms, ReaxFF‐based MD simulations are performed over a temperature range of 700–1900 K, revealing two key findings. First, temperature governs a transition in the dominant oxidation mechanism: oxidation proceeds via surface‐limited lateral diffusion at low temperatures and gradually shifts toward depth‐wise oxygen penetration as temperature increases. Second, despite enhanced oxygen mobility at elevated temperatures, the effective oxide thickness evolves nonmonotonically, indicating that oxide growth is governed not simply by oxygen diffusivity but by the competition between lateral and penetrative oxidation pathways. These findings provide atomistic insight into silicon oxidation under highly transient thermal conditions and offer guidance for controlling localized, low‐thermal‐budget oxidation processes in advanced semiconductor fabrication.