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Kinetic Monte Carlo Simulation of Deposition of Co Thin Film on Cu(001)

机译:Cu(001)上Co薄膜沉积的动力学Monte Carlo模拟

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A kinetic Monte Carlo (kMC) simulation is conducted to study the growth of ultrathin film of Co on Cu(001) surface. The many-body, tight-binding potential model is used in the simulation to represent the interatomic potential. The film morphology of heteroepitaxial Co film on a Cu(001) substrate at the transient and final state conditions with various incident energies is simulated. The Co covered area and the thickness of the film growth of the first two layers are investigated. The simulation results show that the incident energy influences the film growth and structure. There exists a transition energy where the interfacial roughness is minimum. There are some void regions in the film in the final state, because of the influence of the island growth in the first few layers. In addition, there are deviations from ideal layer-by-layer growth at a coverage from 0~2 monolayers (ML).
机译:进行了动力学蒙特卡罗(kMC)模拟,以研究Co(Cu)(001)表面上Co超薄膜的生长。模拟中使用了多体紧密结合电位模型来表示原子间电位。模拟了瞬态和最终状态条件下具有各种入射能量的Cu(001)衬底上异质外延Co膜的膜形貌。研究了前两层的Co覆盖面积和膜生长的厚度。仿真结果表明,入射能量会影响薄膜的生长和结构。存在界面粗糙度最小的过渡能。由于前几层的岛状生长的影响,最终状态的薄膜中会有一些空隙区域。另外,在0〜2个单层(ML)的覆盖范围内,与理想的逐层生长有偏差。

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