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Dendritic growth of the Pt-Cu islands on Cu(111) surface: Self-learning kinetic Monte Carlo simulations

机译:Cu(111)表面上的Pt-Cu岛的树枝状生长:自学习动力学蒙特卡洛模拟

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摘要

Growth of the Pt-Cu islands on the Cu(111) surface at different deposition fluxes, relative amounts of Pt atoms and surface temperatures is investigated on the atomic scale by performing the self-learning kinetic Monte-Carlo simulations. The shape transition of the islands from sixfold symmetry to threefold symmetry with increasing of the relative amount of Pt atoms n(Pt)(Cu) in clusters at room temperature was found and explained by the corner diffusion anisotropy. Nonmonotonic dependence of the fractal dimension of the dendritic islands on the ratio n(Pt)(Cu) is observed. It is shown that this effect can be interpreted in the framework of the generalized diffusion limited aggregation model if we assume that the dependence of the effective diffusion barrier on the ratio n(Pt)(Cu) has the third-degree polynomial function form. This dependence is in qualitative agreement with the analysis of the edge diffusion barriers. The dendritic cluster obtained with the simulations at room temperature looks very similar to the experimentally observed one (Soy et al. (2015) [33]).
机译:通过执行自学习动力学蒙特卡洛模拟,以原子尺度研究了Cu(111)表面上不同沉积通量,Pt原子相对量和表面温度下Pt-Cu岛的生长。随着室温下簇中Pt原子相对数量n(Pt)/ n(Cu)的增加,岛的形状从六重对称转变为三重对称,并通过角扩散各向异性来解释。观察到树状岛的分形维数对比率n(Pt)/ n(Cu)的非单调依赖性。结果表明,如果我们假设有效扩散势垒对比率n(Pt)/ n(Cu)的依赖关系具有三次多项式函数形式,则可以在广义扩散受限聚集模型的框架内解释此效应。 。这种依赖性与边缘扩散势垒的分析在质量上一致。在室温下通过模拟获得的树突状簇看起来与实验观察到的非常相似(Soy等人(2015)[33])。

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