首次应用修正嵌入原子法( MEAM) 以及动力学蒙特卡洛方法( KMC) 对 Ti-Si-N 薄膜的生长过程进行了计算机仿真模拟。 在合理选择势函数及 MEAM 各项参数的基础上,利用编程软件仿真在不同基底温度下的薄膜生长过程。 与采用传统简单的 Mouse 势进行模拟的结果相比,这种新方法的模拟结果更加准确,与实验结果更加吻合。 仿真结果表明:基底温度对 Ti-Si-N 薄膜的形成过程有着直接的影响,当基底温度为 800 K 时,岛所形成的形貌最为理想,缺陷率最低。

The Modified Embedded Atom Method ( MEAM) and Kinetic Monte Carlo ( KMC) methods were first used to carriy out a computer simulation of the Ti-Si-N film growth process. Based on the reasonable selection of each parameter of MEAM potential function, the programming software was used to simulate the growth process of the film in different particle deposition conditions. The simulation results of this new approach and the potential of using the traditional simple Mouse compared to the simulation results more accurate, and more consistent with the experimental results. Simulation results show that the deposition temperature has a direct impact on the formation process of the Ti-Si-N films. When the deposition temperature is 800 K,the formation of the island is the most ideal, defect rate minimum.