离子束辅助沉积对类金刚石膜结构影响的计算机模拟  

Simulations of the structure characteristic of diamond-like carbon films formed by ion-beam-assisted deposition

作　　者：李之杰[1] 潘正瑛[1] 朱靖[1] 魏启[1] 王月霞[1] 臧亮坤[1] 周亮[1] 刘提将[1] 

机构地区：[1]复旦大学现代物理研究所

出　　处：《物理学报》2005年第5期2233-2238,共6页Acta Physica Sinica

基　　金：国家自然科学基金 (批准号 :10 2 75 0 12 )资助的课题 .~~

摘　　要：采用分子动力学 (MD)模拟研究了离子束辅助沉积 (1BAD)生长类金刚石 (DLC)膜的物理过程 .分别选C2 分子和Ar离子作为沉积源和辅助沉积粒子 .改变Ar的入射能量和到达比 (Ar/C) ,研究了它对DLC膜结构的影响 .重点讨论了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 .分析表明 ,由于Ar离子的轰击引起的能量和动量的传递 ,大大地增强了C原子在表面的反冲动能及迁移概率 ,增加了合成薄膜的SP3键含量 .研究结果和实验观察一致 ,并从合成机理上给出了一些定量解释 .Molecular dynamics ( MD) simulation was used to study the growth process of diamond-like carbon (DLC) films synthesized via ion-beam-assisted deposition (IBAD). The C-2 molecules and Ar ions were selected as deposition and assistance projectiles, respectively. The influence of the impact energy of Ar as well as the assistance/deposition atomic ratio (Ar/C), on the film structure was investigated. The transient mobility and the migration of C adatoms caused by Ar impact were studied. Our results indicate that the impact-induced high recoil energy and displacement of deposited C atoms play a leading role in the growth of DLC films. This can be attributed to the incident energy and momentum of assistance Ar. Our results agree well with the experimental observation. Furthermore, it explains the growth mechanism partly.

关 键 词：类金刚石薄膜 离子束辅助沉积 分子动力学 计算机模拟 

分 类 号：TB43[一般工业技术]