Beausoleil A, Desjardins P, Rochefort A
Regroupement québécois sur les matériaux de pointe (RQMP), Ecole Polytechnique de Montréal, Montréal, Québec, Canada.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Aug;78(2 Pt 1):021604. doi: 10.1103/PhysRevE.78.021604. Epub 2008 Aug 13.
We demonstrate, using kinetic Monte Carlo simulations of submonolayer epitaxial growth, that long jumps and reversible aggregation have a major impact on the evolution of island morphologies. Long jumps are responsible for a supra-Arrhenius behavior of the effective diffusion coefficient as the attachment and detachment kinetics give rise to a bimodal island size distribution that depends on temperature and long jump extent limits. As the islands density increases with temperature, the average size of stable islands reaches a maximum before decreasing. We have also observed that the diffusion coefficient cannot be used alone to predict the evolution of island sizes and morphologies, the relative rate of each process having a major importance. Our theoretical developments are of direct relevance for materials systems such as Au, Pd, Ag, Cu, Ni, H/Si , H/W(110), Co/Ru , and Co/Ru(S), that are known for exhibiting a compensation effect that cannot be contained within experimental uncertainties.
我们通过亚单层外延生长的动力学蒙特卡罗模拟证明,长程跳跃和可逆聚集对岛状形态的演变有重大影响。长程跳跃导致有效扩散系数出现超阿累尼乌斯行为,因为附着和脱离动力学产生了取决于温度和长程跳跃范围限制的双峰岛尺寸分布。随着岛密度随温度增加,稳定岛的平均尺寸在减小之前达到最大值。我们还观察到,扩散系数不能单独用于预测岛尺寸和形态的演变,每个过程的相对速率至关重要。我们的理论发展与诸如金、钯、银、铜、镍、氢/硅、氢/钨(110)、钴/钌以及钴/钌(S)等材料系统直接相关,这些材料系统以表现出无法包含在实验不确定性范围内的补偿效应而闻名。