本文建立了一个适用于描述离子束增强沉积(Ion Beam Enhanced Deposition,即IBED)过程的Monte-Carlo计算机模拟程序。程序由离子注入计算和蒸发沉积计算两大部分组成。离子注入计算以二体碰撞近似为基础,以随机固体为靶模型,对入射离子和所有反冲原子的力学运动进行跟踪。程序中考虑了沉积原子对靶室中某些残余气体分子的吸附;还表达了靶的组份及密度在IBED过程中的不断变化,从而实现了靶的动态化。该程序可以提供IBED薄膜组份的深度分布、界面混合以及能量沉积等信息。计算结果表明,在IBED氮化钛薄膜中,Ti沉积速率对薄膜组份有很大影响。当沉积速率较低时,薄膜组份基本与注入离子和沉积原子的到达率比(N/Ti)无关。膜与基体间的混合层厚度随离子原子到达率比(N/Ti)增加而增加。计算结果与实验测试结果符合很好。
A Monte-Carlo comupter simulation has been performed to describe, atatomic level, the growth of TiN films formed by ion beam enhanced deposition(IBED). The simulation is based on a random target, fixed free path of moving par-ticles and binary collisions. An alternate process of deposition of titanium atomsand implantation of nitrogen ions is applied instead of the actual continuous andsynchronous process of IBED. According to the actual conditions, the adsorptionof nitrogen gas, which is leaked out from the ion source, at the fresh titaniumlayer surface has been considered. In addition, the change of the composition pro-file and the density profile during film growth is taken into account. It shows thatthe titanium deposition rate has strong influence on the film composition. Whenthe titanium deposition rate is low, the nitrogen concentration of the film is rela-tively insensitive to the atomic arrival ratio, R, of implanted nitrogen ions to de-posited titanium atoms. It is demonstrated that the width of the intermixed regionbetween the film and substrate increases with the increase of R. The results obtain-ed are in agreement with the experimental measurements.
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