Luis Edwin E Mozo, Carrasco Ismael S S, de Assis Thiago A, Reis Fábio D A Aarão
Instituto de Física, Universidade Federal da Bahia, Campus Universitário da Federação, Rua Barão de Jeremoabo s/n, 40170-115 Salvador, Bahia, Brazil.
Instituto de Física, Universidade Federal Fluminense, Avenida Litorânea s/n, 24210-340 Niterói, Rio de Janeiro, Brazil.
Phys Rev E. 2020 Jul;102(1-1):012805. doi: 10.1103/PhysRevE.102.012805.
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≲1, the attachment to lateral neighbors is almost irreversible, the average number of hops scales as 〈N〉∼R^{0.38±0.01}, and the distribution of that number decays approximately as exp[-(N/〈N〉)^{0.80±0.07}]. Similar decay is observed in simulations of random walks in a plane with randomly distributed absorbing traps and the estimated relation between 〈N〉 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, 〈N〉 crosses over to another regime when Rε^{3.0±0.3}∼1, which indicates high mobility of all adatoms at terrace borders. The distributions P(N) 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 〈N〉∼Rε^{1.85±0.15}, which is explained by an analogy with submonolayer growth. Thus, the statistics of adatom hops on growing film surfaces is related to universal and nonuniversal features of the growth model and with properties of trapping models if the hopping time is limited by the landscape and not by the deposition of other layers.
我们研究了在简单立方晶格中使用克拉克 - 韦德ensky(CV)模型生长的薄膜表面上吸附原子的跳跃次数统计。对于扩散与沉积比(R)以及降低每个横向邻居扩散系数的概率(\varepsilon)的广泛取值范围,确定了平均厚度接近50和100个单层的薄膜中该数量(N)的分布。忽略了次表面原子的迁移率和跨越台阶边缘的能垒。模拟表明,吸附原子在薄膜表面移动期间进行不相关扩散。在低温 regime 下,通常当(R\varepsilon\lesssim1)时,与横向邻居的附着几乎是不可逆的,平均跳跃次数按(\langle N\rangle\sim R^{0.38\pm0.01})缩放,并且该数量的分布近似按(\exp[-(N / \langle N\rangle)^{0.80\pm0.07}])衰减。在具有随机分布吸收陷阱的平面中的随机游走模拟中观察到类似的衰减,并且(\langle N\rangle)与台阶密度之间的估计关系类似于在捕获问题中观察到的关系,这为该 regime 提供了概念性解释。随着温度升高,当(R\varepsilon^{3.0\pm0.3}\sim1)时,(\langle N\rangle)转变到另一个 regime,这表明在台阶边界处所有吸附原子具有高迁移率。由于吸附原子在被新沉积层覆盖后变为不动的概率恒定,分布(P(N))变为简单指数衰减。在更高温度下,表面变得非常光滑且(\langle N\rangle\sim R\varepsilon^{1.85\pm0.15}),这通过与亚单层生长的类比来解释。因此,如果跳跃时间受地形限制而非其他层的沉积限制,则生长薄膜表面上吸附原子跳跃的统计与生长模型的普遍和非普遍特征以及捕获模型的性质相关。