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Size calibration of epitaxial islands via a two-step growth protocol: Kinetic Monte Carlo and effective-medium theory study

机译:通过两步生长方案对外延岛进行尺寸校准:动力学蒙特卡洛和有效介质理论研究

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The kinetic Monte Carlo technique has been used to simulate irreversible growth of epitaxial islands in two consecutive steps. At the first step a small quantity of adatoms was simultaneously deposited at the surface at random positions and the atoms freely diffuse until nucleating new islands or until being caught by the earlier nucleated ones. It was found that the distribution of the Voronoi cell (VC) areas around the island centers could be accurately described by the Gaussian distribution (GD) which was narrower than the GD describing the VCs of randomly distributed nucleation centers. Thus, our simulations provide an alternative explanation of the narrowing that was observed experimentally and attributed to elastic forces. At the second step the surface was exposed to an atomic deposition flux that was chosen to be small enough for the nucleation of new islands was strongly suppressed and the growth was dominated by the aggregation of deposited atoms into existing islands. At this step the island size distributions (ISDs) obtained could be also well described by the GD only more peaked than the corresponding VC area distributions. The narrowing has been explained in the framework of an effective medium theory. In several cases the simulated VC area distributions and ISDs semi-quantitatively agreed with those observed experimentally. Furthermore, the two-step growth made the island diameter distributions much more symmetric than those obtained under the conventional irreversible growth setup. It is suggested that this technique may provide a method of controlled growth of the island ensembles with narrow and symmetric size distributions in practically any system: homo- or heteroepitaxial. (C) 2015 Elsevier B.V. All rights reserved.
机译:动力学蒙特卡洛技术已被用于模拟两个连续步骤中外延岛的不可逆生长。第一步,少量的原子同时在表面的任意位置沉积,原子自由扩散,直到成核新的岛或被较早成核的岛捕获。发现岛中心周围的Voronoi细胞(VC)区域的分布可以用高斯分布(GD)准确地描述,该分布比比描述随机分布的成核中心的VC的GD窄。因此,我们的模拟提供了对变窄的另一种解释,该变窄是实验观察到的并归因于弹性力。在第二步中,将表面暴露在原子沉积通量下,该通量被选择得足够小,可以抑制新岛的形核,并且生长主要是由沉积的原子聚集到现有的岛中。在此步骤中,GD也可以很好地描述获得的岛大小分布(ISD),而GD仅比相应的VC区域分布更尖峰。在有效的媒介理论的框架中已经解释了这种缩小。在某些情况下,模拟的VC区域分布和ISD半定量地与实验观察到的一致。此外,两步生长使岛直径分布比常规不可逆生长设置下获得的岛直径分布更加对称。建议该技术可以提供一种在几乎任何系统中均以同质或异质外延方式控制具有狭窄且对称尺寸分布的岛状群的生长的方法。 (C)2015 Elsevier B.V.保留所有权利。

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