硅薄膜在太阳电池中有非常重要的应用,薄膜的晶化对硅薄膜的性质和太阳电池效率都有很大影响,研究薄膜晶化理论具有重要意义.选择刻蚀模型认为H原子会轰击薄膜生长表面,打断吸附较弱的化学键,促使形成强的Si-Si键,使薄膜发生晶化.通过Monte Carlo法对具体的生长晶化过程进行了模拟计算,发现薄膜晶相的转变发生在生长温度350K(77℃)以上,并且在低温(T＜550K)下,晶化的过程主要发生在氢稀释度90％以上.结果与实验数据在高氢稀释下基本吻合,低氢稀释下有偏差.认为低氢稀释下晶化反应所需中间产物产量少,模型中未被考虑的其他基团影响了它们的相对数量,造成模拟结果的偏差.模型对硅薄膜晶化过程的理论解释有一定的合理性.
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