Si（111）表面离子束辅助沉积对类金刚石薄膜结构影响的计算机模拟

本文选C2分子和Ar离子作为沉积源和辅助沉积粒子,采用分子动力学（MD）方法在Si（111）面上模拟研究了离子束辅助沉积（IBAD）类金刚石（DLC）膜的物理过程.重点讨论了C2分子和Ar离子的入射能量及到达比（Ar/C）对平均密度和sp^3键含量的影响,并与Si（001）-（2×1）表面生长类金刚石膜的结果进行比较.结果表明,到达比和入射能的改变,对薄膜结构的影响不同;Si（111）面上生长类金刚石膜,薄膜在衬底的附着力更强.

Simulations of the Structure Characteristic of Diamond-like Carbon Films Formed by Ion-beam-assisted Deposition on Silicon(111) Surface

In this article,Molecular dynamics（MD） was used to study the growth process of diamond-like carbon（DLC） films synthesized via ion-beam-assisted deposition（IBAD） on Silicon（111） surface.The C2 molecules and Ar ions were selected as deposition and assistance projectiles respectively.The study focused on the average density and SP^3 hybridization fraction under different incidence energy of C2 molecules and Ar ions and different the assistance deposition atomic ratio（Ar/C）,and make comparison with Silicon（001）-（2×1） surface.The results indicate that the influence of structure of diamond-like carbon films was different under different incidence energy and the assistance deposition atomic ratio.Adhesive force of films was stronger on Silicon（111） surface.