Reaction-limited island nucleation in molecular beam epitaxy of compound semiconductors.
Reaction-limited island nucleation in molecular beam epitaxy of compound semiconductors.
复制标题
化合物半导体分子束外延中的反应限制岛形核。
DOI：
10.1103/physrevlett.88.036102
复制
发表时间：
2002
影响因子：
8.6
通讯作者：
M. Scheffler
中科院分区：
文献类型：
--
作者：
P. Kratzer;M. Scheffler
基于密度泛函计算得出的速率动力学蒙特卡罗模拟用于研究砷化镓分子束外延的原子过程。这种方法使我们能够通过弥合生长形态的介观尺度和原子尺度之间在长度和时间尺度上的差距，在所有相关的原子细节上描述岛的成核和生长。我们观察到岛密度与生长温度的非单调依赖关系，这与As2与Ga原子的可逆表面反应有关。
Kinetic Monte Carlo simulations on the basis of rates derived from density-functional calculations are used to investigate the atomic processes in molecular beam epitaxy of GaAs. This approach puts us in a position to describe island nucleation and growth in all relevant atomistic detail by bridging the gap in length and time scales between the mesoscopic scale of growth morphology and the atomic scale. We observe a nonmonotonic dependence of the island density on growth temperature related to a reversible surface reaction of As2 with Ga adatoms.