An Optimal Energy Window of Silica Deposition Revealed by Reactive Molecular Dynamics Simulations

The preparation of silica film is of paramount importance in the field of microelectronics. Nevertheless, the energy-dependent deposition mechanism of the silica film remains unclear, waiting to be fully elucidated. This study systematically investigated the deposition behavior and microstructural characteristics of silica films using reactive molecular dynamics (RMD) simulations with the incident ion energy ranging from 0.1 to 50 eV. It was revealed that the deposition energy exerts a substantial influence on the film thickness, density, and Si/O ratio. The optimal deposition energy range for silica film is determined to be 10–30 eV. Within this energy window, the films exhibit simultaneously maximum thickness, peak density, and an Si/O ratio closely approximating the ideal stoichiometric ratio of silica. This investigation offers a robust theoretical foundation for optimizing the preparation process of the silica film, which is crucial for advancing the performance and reliability of semiconductor devices.