温度对异质外延膜生长初期的影响

Surfaces Pub Date : 2022-04-05 DOI:10.3390/surfaces5020018
T. To, F. D. Aarão Reis
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引用次数: 3

摘要

采用动力学蒙特卡罗方法模拟了薄膜异质外延的生长过程,研究了沉积温度对异质外延生长初期的影响。较宽范围的表面过程速率被用来模拟具有几个活化能和几个温度变化的材料,在与其他薄膜层相比,衬底上的扩散率较大的条件下。当对相同覆盖层的薄膜进行比较时,在岛状生长、聚结和连续薄膜的初始形成过程中,粗糙度随沉积温度的增加而增加。同时,自相关函数的最小值的位置被移到更大的尺寸。这些明显的普遍趋势是形成更宽更高的岛屿的结果,在台阶边缘有或没有Ehrlich-Schwöebel吸附原子扩散障碍都可以观察到。粗糙度随温度的增加在质量上与最近对无机和有机材料沉积的观察相匹配。在较厚的薄膜中,一些参数组的模拟显示粗糙度随温度的升高而降低。在这些情况下,在连续膜的初始形成中可以观察到粗糙度的重新进入。
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Temperature Effects in the Initial Stages of Heteroepitaxial Film Growth
Kinetic Monte Carlo simulations of a model of thin film heteroepitaxy are performed to investigate the effects of the deposition temperature in the initial growth stages. Broad ranges of the rates of surface processes are used to model materials with several activation energies and several temperature changes, in conditions of larger diffusivity on the substrate in comparison with other film layers. When films with the same coverage are compared, the roughness increases with the deposition temperature in the regimes of island growth, coalescence, and initial formation of the continuous films. Concomitantly, the position of the minimum of the autocorrelation function is displaced to larger sizes. These apparently universal trends are consequences of the formation of wider and taller islands, and are observed with or without Ehrlich-Schwöebel barriers for adatom diffusion at step edges. The roughness increase with temperature qualitatively matches the observations of recent works on the deposition of inorganic and organic materials. In thicker films, simulations with some parameter sets show the decrease of roughness with temperature. In these cases, a re-entrance of roughness may be observed in the initial formation of the continuous films.
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