氢原子在金刚石(001)表面沉积的分子动力学模拟

Molecular dynamics simulation of hydrogen atoms deposition on the diamond (001) surface

利用分子动力学模拟方法,研究了氢原子在金刚石表面的沉积机理.调查了氢原子的入射能量、入射点位置、入射姿势及衬底温度对其在金刚石(001)表面沉积的影响.研究发现氢原子的入射能量、入射姿势及碰撞点位置对其沉积的影响很大;而在常温和低温下,衬底温度对其沉积的影响较小.这对进一步探索实验条件对薄膜质量的影响具有重要的意义.

This paper studies the deposition mechanism of H atoms on the diamond surface by the molecular dynamics method.It investigates the influence of incident energy,impinging position,incident posture,and the substrate temperature on the deposition of H atoms on the（001） surface.The incident energy,impinging position,and incident posture have a great effect on the deposition of H atoms.However,the influence of substrate temperature is little for the deposition of H atoms at room temperature and low temperature.This has a great significance for further experimental conditions,which has an effect on the quality of the DLC films.