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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。
The molecular dynamics simulation of germanium thin films grown on Si (100) 2 × 1 substrates with different incident angles, substrate temperatures and incident energies was carried out. The results were analyzed and discussed by means of catamaran distribution function, atomic intuitionistic configuration and atomic trajectory method. The simulation shows that the above three factors have certain influence on the microstructure of the film, but the influence of the substrate temperature is the most important. The dimer bond of the reconstructed substrate is very important for the epitaxial growth of germanium, while the dimer bond breaking process is mainly Occurs in the next stage of germanium incident phase, so the next stage germanium incident stage is the epitaxial crystallization of germanium a key stage.