动力学蒙特卡洛(KMC)模拟薄膜生长

Kinetic Monte Carlo(KMC) Simulation of Thin Film Growth

本文以扩散理论为基础,利用KMC模拟方法,考察了温度对薄膜生长速率和表面形貌的影响以及生长表面的粗糙化相变过程。模拟表明,温度升高有利于提高薄膜生长速率,薄膜生长以"成核-岛数增长-岛的长大融合"的方式进行。模拟发现薄膜生长初期存在粗糙化相变过程,当温度低于相变温度时,薄膜分层生长,生长速率较慢;当温度高于相变温度时,薄膜表面粗糙度骤然升高,生长速率加快。

The effect of temperature on thin film growth speed, surface appearance and the roughness transformation process were studied by Kinetic Monte Carlo simulation method based on surface diffusion theory. The simulation indicated temperature increasing advantageous in thin film growth. The thin film growth can be regarded as ＂ coring- island number increasing- islands coalesce＂ progress. It was found that there is a roughness transformation process in the initial period of film growth. When the temperature is lower than the transformation temperature, the thin film grows with a way of layer-by-layer and the growth speed is slow. When the temperature is higher than the transformation temperature, the thin film surface roughness increased obviously, and the growth speeds enhanced.