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Pattern Selection of Surface-based Nanostructures

机译:基于表面的纳米结构的图案选择

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摘要

A rich variety of two-dimensional patterns can be formed in the early stages of film growth. In this paper, we will show that, when a surfactant layer is used to mediate the growth, a counter-intuitive fractal-to-compact island shape transition can be induced by increasing deposition flux or decreasing growth temperature. Specifically, we introduce a reaction limited aggregation (RLA) theory, where the physical process controlling the island shape transition is the shielding effect of adatoms stuck to stable islands on incoming adatoms. Also discussed is the origin of a transition of compact islands from triangular to hexagonal then to inverted triangular in Pt (111) homoepitaxy with the presence of CO adsorbates. We will provide a coherent and unified picture for the interpretation of these intriguing observations based on kinetic Monte Carlo simulations, with energy barriers from first-principles calculations.
机译:在薄膜生长的早期阶段,可以形成各种各样的二维图案。在本文中,我们将表明,当使用表面活性剂层来介导生长时,通过增加沉积通量或降低生长温度,可以引起与直觉相反的分形到紧凑岛形转变。具体而言,我们介绍了一种反应受限聚集(RLA)理论,其中控制岛形转变的物理过程是吸附到传入原子上的固定在稳定岛上的原子的屏蔽作用。还讨论了在CO吸附物存在的情况下,Pt(111)均相中致密岛从三角形过渡到六角形然后过渡到倒三角形的起源。我们将为基于动力学蒙特卡洛模拟的这些有趣观察的解释提供连贯一致的图片,并包含来自第一性原理计算的能垒。

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