应用基于反应力场的分子动力学方法研究了ZnO薄膜(001)表面作为衬底的薄膜沉积生长过程,初步讨论了500K时,沉积速率(1.5、2.5和3.5m/s)变化对沉积薄膜质量的影响.结果表明沉积速率约3.5m/s时,衬底结构最稳定,沉积原子结构径向分布函数曲线特征峰尖锐、明显,有序度较高；每原子层密度分析表明优化的沉积温度和沉积速率下,沉积形成的薄膜结构稳定而又致密.在预置衬底表面平坦的情况下薄膜呈现一种岛状的生长模式,近衬底区Zn-O键呈现理想的生长取向,而近表面区则两种生长取向共存,导致其生长前锋交汇处形成新的有序缺陷及氧空位.
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