磁控溅射薄膜生长的模拟方法

磁控溅射技术制备的薄膜膜层均匀,内部无气孔,密度高,与衬底的附着性良好,薄膜质量高,被广泛应用于科学研究和工业生产中,且适合应用计算机模拟来研究溅射过程和溅射结果,这样既可以检验模拟的准确性,又可以对实验现象的内在意义进行挖掘,为后续实验提供参考信息。在介绍磁控溅射薄膜生长常用模拟方法原理的基础上,详细讨论了第一性原理(First-principles calculations)、分子动力学(Molecular dynamics,MD)和蒙特卡洛(Monte Carlo,MC)等3种方法的适用条件和模拟结果,从3种方法适合解决的问题、相互之间的区别等方面,对国内外最新的研究进展进行总结与分析。发现3种方法在精确度和计算量上依次递减,在可模拟的时间和空间尺度上依次递增,在模拟对象上,第一性原理方法由于其高度的精确性被广泛应用于对薄膜本身的性质或对粒子间的运动等方面,且模拟结果可以是具体数值,从而对实验进行更加精确的预测和指导,分子动力学方法多用于模拟薄膜生长过程和原子间行为等方面,蒙特卡洛方法相较于前两者,用途更加广泛,可模拟的对象除了薄膜本身,也可以对电磁场等进行模拟。最后,对磁控溅射薄膜生长模拟未来的研究方向进行了展望。

Simulation Method of Magnetron Sputtering Film Growth

The film prepared by magnetron sputtering technology is uniform and free from pores inside, with high density, good adhesion to the substrate and excellent quality and has been widely used in scientific research and industrial production. Such film is suitable for the simulation by computer to study sputtering process and sputtering results, which can not only check the accuracy of simulation, but also excavate the intrinsic meaning of experimental phenomena and provide reference information for subsequent experiments. Based on the introduction of the principles of the commonly used simulation methods for the growth of magnetron sputtering films, the applicable conditions and simulation results of the three methods, first-principles calculations, molecular dynamics (MD) and Monte Carlo (MC), were discussed in detail and the latest research progress at home and abroad was summarized and analyzed from the problems to be solved by the three methods and the differences between the three methods. It was found that the three methods were successively decreasing in accuracy and calculation amount, but increasing sequentially in the simulation time and space scales. For simulation object, first-principles calculations method is mostly used to simulate the properties of the film or the motion between particles due to high precision and the simulation results can be accurate to the value, so as to make more accurate predictions and guidance for the experiment. The molecular dynamics method is mostly used to simulate the film growth process and the behavior between atoms. Compared with the former two, the Monte Carlo method is more versatile and can simulate the film and the electromagnetic field. Finally, the future research direction of magnetron sputtering film growth simulation is forecasted.