基于原子运动模型的类金刚石薄膜生长机理研究

Growth mechanism of diamond-like carbon film based on the simulation model of atomic motion

利用分子动力学模拟方法,从原子尺度上研究了类金刚石(DLC)薄膜生长过程.按照运动特点把入射原子在表面的行为分为表面冷冻、迁移、注入和反弹等四种,并由此提出原子运动模型.入射原子的表面行为对DLC薄膜的微观结构以及生长方式有重要影响.其中原子水平迁移是薄膜热弛豫的主要途径,入射原子的注入和迁移行为相互竞争,决定了薄膜生长的模式和最终结构.利用统计分析手段给出了入射能量对原子表面行为进而对薄膜结构的影响,加深了对DLC薄膜生长机理的认识.

Molecular dynamics simulations arc performed to study the growth of diamond-like carbon （DLC） films on the atomic scale. The behaviors of incident atoms on the surface are classified into four categories： surface freezing, migration, implantation and rebounding, according to the atomic movement. The behaviors of incident atoms have an important impact on microstructure and growth mode of DLC film. The transverse migration of the atoms is the main route of film relaxation. The competition between atomic implantation and migration determines the growth mode and final structures of the film. Energy dependence of surface behaviors of deposited atoms and film structures is analyzed statistically, which deepens the understanding of DLC film growth mechanism.