论文标题

薄膜生长模型中Adatom扩散的统计数据

Statistics of adatom diffusion in a model of thin film growth

论文作者

Luis, Edwin E. Mozo, Carrasco, Ismael S. S., de Assis, Thiago A., Reis, Fábio D. A. Aarão

论文摘要

我们研究了用Clarke-Vvedensky(CV)模型在简单的立方晶格中生长的薄膜表面上执行的ADATOM的啤酒花数量的统计数据。该数字的分布($ n $)是在薄膜中确定的,平均厚度接近$ 50 $和$ 100 $单层,用于广泛的扩散沉积比$ r $的值,以及降低每个侧向邻居的扩散系数的概率$ε$的概率$ε$。地下原子的迁移率和越过步骤边缘的能屏障被忽略了。模拟表明,在它们在膜表面移动的时间内,Adatoms会执行不相关的扩散。在低温状态下,通常具有$rε\ Lessim 1 $,对侧邻居的附件几乎是不可逆转的,啤酒花量表的平均数量为$ \ langle n \ rangle \ sim rangle \ sim r^{0.38 \ pm 0.01} $,该数字的分布大约是$ \ exp expeand expeans unge( n \ rangle} \ right)^{0.80 \ pm 0.07} \ right] $。在对随机分布吸收陷阱的平面中随机行走的模拟中观察到了类似的衰变,并且$ \ langle n \ rangle $和露台步骤密度之间的估计关系类似于陷阱问题中观察到的,这提供了对该方案的概念解释。随着温度的升高,$ \ langle n \ rangle $交叉到另一个制度时,当$rε^{3.0 \ pm 0.3} \ sim 1 $,这表明露台边界所有Adatoms的高移动性。分布$ p \ left(n \右)$更改为简单的指数衰减,这是因为在被新沉积层覆盖后,Adatom持续不断变化。在较高的温度下,表面变得非常平滑,$ \ langle n \ rangle \ simrε^{1.85 \ pm 0.15} $,这是通过与亚层增长的类比来解释的。

We study the statistics of the number of executed hops of adatoms at the surface of films grown with the Clarke-Vvedensky (CV) model in simple cubic lattices. The distributions of this number, $N$, are determined in films with average thicknesses close to $50$ and $100$ monolayers for a broad range of values of the diffusion-to-deposition ratio $R$ and of the probability $ε$ that lowers the diffusion coefficient for each lateral neighbor. The mobility of subsurface atoms and the energy barriers for crossing step edges are neglected. Simulations show that the adatoms execute uncorrelated diffusion during the time in which they move on the film surface. In a low temperature regime, typically with $Rε\lesssim 1$, the attachment to lateral neighbors is almost irreversible, the average number of hops scales as $\langle N\rangle \sim R^{0.38\pm 0.01}$, and the distribution of that number decays approximately as $\exp\left[-\left({N/\langle N\rangle}\right)^{0.80\pm 0.07}\right]$. Similar decay is observed in simulations of random walks in a plane with randomly distributed absorbing traps and the estimated relation between $\langle N\rangle$ and the density of terrace steps is similar to that observed in the trapping problem, which provides a conceptual explanation of that regime. As the temperature increases, $\langle N\rangle$ crosses over to another regime when $Rε^{3.0\pm 0.3}\sim 1$, which indicates high mobility of all adatoms at terrace borders. The distributions $P\left( N\right)$ change to simple exponential decays, due to the constant probability for an adatom to become immobile after being covered by a new deposited layer. At higher temperatures, the surfaces become very smooth and $\langle N\rangle \sim Rε^{1.85\pm 0.15}$, which is explained by an analogy with submonolayer growth.

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