异质外延刻面岛的多状态晶格动力学蒙特卡罗模拟
Kinetic Monte Carlo simulation of faceted islands in heteroepitaxy using multi-state lattice model
摘要：
本文推广了固-固模型，研究了Si（100）衬底上Ge金字塔岛的二维形成。每个原子柱的特征不仅在于由局部表面高度，但也由两个变形状态变量决定的局部表面倾斜和垂直延伸。这些变形从现象学上对（105）面中的表面重建进行建模，并且使得能够形成更好地类似于多面金字塔的岛。我们证明了该模型的应用动力学有限的增长制度。我们观察到显着降低的增长率后，刻面和新的岛屿，直到过度拥挤发生连续成核。
英文摘要：
A solid-on-solid model is generalized to study the formation of Ge pyramid islands bounded by (105) facets on Si(100) substrates in two dimensions. Each atomic column is not only characterized by the local surface height but also by two deformation state variables dictating the local surface tilt and vertical extension. These deformations phenomenologically model surface reconstructions in (105) facets and enable the formation of islands which better resemble faceted pyramids. We demonstrate the model by application to a kinetic limited growth regime. We observe significantly reduced growth rates after faceting and a continuous nucleation of new islands until overcrowding occurs.
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