Ar离子辅助沉积对含氢类金刚石薄膜结构影响的计算机模拟

Simulation on Ar Ion Assisted Deposition of Hydrogen Diamond-like Carbon Films

选C2分子和一定量的H原子作为沉积源,Ar离子作为辅助沉积粒子,采用分子动力学(MD)方法模拟研究离子束辅助沉积(IBAD)生长类金刚石(DLC)膜的物理过程.给定Ar的入射能量并改变Ar的到达比(Ar/C),研究辅助沉积对DLC膜结构的影响;重点讨论Ar辅助沉积引起表面原子的瞬间活性变化对薄膜结构产生的影响.结果表明,由于Ar离子轰击引起的能量和动量的传递,增加了合成薄膜的SP3键含量,增大了合成薄膜的密度,加宽了沉积粒子和衬底的结合宽度,研究结果和实验观察一致,并从合成机理上给出一些定量解释.

Molecular dynamics （MD） simulation is made to study growth of diamond-like carbon （DLC） films via ion-beam-assisted deposition （IBAD）. C2 molecules and H ions are selected as deposition projectiles and Ar ions are selected as assistance projectiles. At fixed incident energy and varied ration （Ar/C）, assisted deposition of film is investigated. Transient mobility and migration of C atoms due to Ar impact is investigated. It shows that the impact-induced high recoil energy and displacement of deposited C atoms play a key role in growth of DLC films. It is attributed to incident energy and momentum of assistance Ar. The results agree well with experimental observation. It helps understanding of the growth mechanism.