低能单个Cu原子与Cu13团簇沉积到Fe（001）表面的比较
The comparison of single Cu atom and clusters Cu13 deposition on the Fe (001) onsurface in Low-energy

本文利用分子动力学模拟方法对相同初始沉积条件下的单个Cu原子和Cu13团簇与Fe(001)表面的相互作用分别进行了模拟研究, 并将两者的模拟结果进行了比较分析. 单个Cu原子和Cu13团簇的初始入射能量范围均为1eV/atom、3eV/atom、5eV/atom和10eV/atom, 初始入射角度均为0o、10o、30o和45o, 衬底温度分别为100K、300K和800K. 对单个Cu原子和Cu13团簇的原子动能、质心高度、迁移距离和最终沉积形貌进行了分析, 对比研究了相同初始沉积条件下单个Cu原子和Cu13团簇在沉积过程中和沉积效果上的具体差异. 模拟结果表明: 单个Cu原子和Cu13团簇与Fe(001)表面的相互作用机制存在差异, Cu13团簇表现出显著的集体效应. 在特定沉积条件下, 由于Cu13团簇的集体效应, 导致Cu13团簇与Fe(001)表面的结合能力和在Fe(001)表面上的扩散能力均强于单个Cu原子.
The interaction between single Cu atom and Fe (001) substrate as well as the interaction between Cu13 cluster and the substrate was simulated under the same initial depositing conditions via the molecular dynamics simulation technique. With different substrate temperatures (100K, 300K, and 800K), the incident energy of the single Cu atom and the Cu13 cluster was respectively established to be 1eV/atom, 3eV/atom, 5eV/atom and 10eV/atom with the initial incident angles 0o,10o,30o and 45o. Then, compared the average kinetic energy curves, the average centroid height curves, the migration distance curves and the final morphologies of the single Cu atom and the Cu13 cluster depositing on Fe (001) surface. In contrast with the calculated results, it was found that the deposition of the single Cu atom on the substrate and the interaction with the substrate were different from those for the Cu13 cluster, from which can lead to the conclusion that the Cu13 cluster preferred to exhibit significant collective effect. In this sense, compared with the single Cu atom, the Cu13 cluster is technically easier to combine with the substrate and to spread on it.