【摘要】 根据本文作者提出的基于Monte Carlo方法模拟多元氧化物薄膜生长的三维模型及模拟算法(详见另文),编制了模拟软件,并以PbTiO3薄膜为例模拟了多元氧化物薄膜生长初期的表面形貌。模拟中选定两个输入参数为沉积速率和沉积温度,并根据相关研究报道的实验条件,分别取沉积速率处于0.1~0.001nm/s之间,沉积温度处于800~1000K之间。模拟结果表明,在薄膜生长的初始阶段,沉积速率和沉积温度对薄膜形貌的影响很大,随着沉积速率的降低和沉积温度的升高,初始凝聚岛的面积增大,总的岛的数目减小;在较低的沉积速率和较高的沉积温度条件下更容易得到薄膜的层状生长。更多还原

【Abstract】 According to the authors’ developed three dimensional model and related algorithm for the simulation of multi-element oxide thin film（see authors’ another paper）,a pack of simulation software was developed,and the simulated initial morphology of PbTiO₃ thin films under different deposition conditions was reported in this paper.During the simulations,the deposition rate and temperature were considered as two input parameters,in which deposition rate was chosen as 0.1～0.001nm/s and deposition temperature is chosen as 800～1000K according to real experiment conditions in general researches.From the simulation results it can be obtained that the deposition rate and deposition temperature play an very important role in the initial process of the growth of PbTiO₃ thin film,and with the rising of deposition temperature and the decreasing of deposition rate the size of the initial nucleuses gets larger and the number of them gets less,resulting that the film will likely grow layer by layer in the condition of lower deposition rate and higher deposition temperature.更多还原