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采用分子动力学方法模拟了F原子与Si表面相互作用,F原子入射能量分别为0.3,1,3,5,7和9 eV。在模拟过程中,F原子的沉积率与Si表面悬键密度有关,而Si原子的刻蚀率与表面晶格结构破坏程度有关,随着Si原子刻蚀率的增加,样品高度降低。在不同能量F原子作用下,样品Si表面形成Si-F反应层。Si-F反应层的厚度随入射能量的增加而增加,其组成成分对产物有至关重要的影响。
The interaction between F atoms and Si surface was simulated by molecular dynamics method. The incident energies of F atoms were 0.3, 1, 3, 5, 7 and 9 eV, respectively. During the simulation, the deposition rate of F atoms is related to the dangling density of Si surface, while the etching rate of Si atoms is related to the degree of destruction of the surface lattice structure. With the Si atom etching rate increasing, the sample height decreases. Under the action of different energy F atoms, Si-F reaction layer was formed on the Si surface. The thickness of the Si-F reaction layer increases with the incident energy, and the composition of the Si-F reaction layer has a crucial effect on the product.