Study of Stranski-Krastanov growth using kinetic Monte Carlo simulations with an atomistic model of elasticity

被引:5
作者
Nath, Pinku [1 ]
Ranganathan, Madhav [1 ]
机构
[1] Indian Inst Technol, Dept Chem, Kanpur 208016, Uttar Pradesh, India
关键词
Kinetic Monte Carlo simulations; Heteroepitaxial growth; Elasticity; Surface energy anisotropy; LAYER-BY-LAYER; HETEROEPITAXIAL GROWTH; MORPHOLOGICAL INSTABILITY; EPITAXIAL-GROWTH; WETTING LAYER; GE FILMS; EVOLUTION; INAS; TRANSITION; SI;
D O I
10.1016/j.susc.2014.05.003
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have analyzed the Stranski-Krastanov growth mode in heteroepitaxial thin films using lattice-based kinetic Monte Carlo simulations with an atomistic model of elasticity. In this growth mode, elastic effects due to the lattice mismatch between the film and the substrate cause a transition from two-dimensional layer-by-layer growth to three-dimensional island growth. In our simulations on a simple cubic lattice model in a 3-dimensional system with nearest neighbor interactions only, we see very little tendency towards islanding. On modifying the anisotropy using next-to-nearest and next-to-next-to-nearest neighbor interactions, the system shows a greater tendency towards islanding. When the calculations are carried out in a 2-dimensional system, islanding is fairly pronounced. To gain insights into the possible reasons for these observations, we evaluate the elastic energy and bond energy of different configurations in a 2-dimensional system. Our calculations show that island growth in 2-dimensions also involves a significant nucleation barrier. This suggests that the barrier for island formation is more easily overcome in a 2-dimensional system as compared to a 3-dimensional system. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码:8 / 16
页数:9
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