中文摘要：

以Si（100）2×1为基底,对不同入射角度、基底温度及入射能量时生长锗薄膜进行了分子动力学模拟。运用双体分布函数与原子直观构型及原子轨迹法对结果进行了分析讨论。模拟表明,以上3种因素对薄膜微结构都有一定影响,但基底温度的影响最重要;重构基底的二聚体键打开对实现锗外延生长很重要,而二聚体键断开过程主要发生在下一层锗入射阶段,因而下一层锗入射阶段是上一层锗外延晶化的关键阶段。

英文摘要：

In this paper, Ge atoms are sputtered on Si（100）2×1 substrates at different angles of incidence, different substrate temperatures as well as diversified incidence energies, and molecular dynamics simulation is adopted. The results of the simulation are investigated by pair correlation function and visual atom configuration and atom trajectory. The results show that three kinds of factors all have some effect on film microstructure, whereas the effect of the substrate temperature is the most important. The open of substrate＇ dimers is very pivotal for Ge heteroepitaxial growth, and this mostly happens in course of the next layer Ge atoms incidence, which is the pivotal stage of Ge heteroepitaxial growth.