Misfit and dislocation nucleation during heteroepitaxial growth
Misfit and dislocation nucleation during heteroepitaxial growth
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DOI：
10.1016/j.commatsci.2013.11.030
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发表时间：
2014-02-01
影响因子：
3.3
通讯作者：
Emmerich, Heike
中科院分区：
文献类型：
--
作者：
Choudhary, Muhammad Ajmal;Kundin, Julia;Emmerich, Heike
本文介绍了各向异性相场晶体模型在各向异性系统异质外延生长过程中的应用。在具有剪切非立方晶格的薄膜的生长过程中，由于薄膜和衬底之间的晶格常数（失配）和晶格剪切（各向异性差）的差异，弹性应变引起位错和晶界。对各种失配和各向异性差异的数值模拟表明，各向异性演化方程的相场变量允许模拟各向异性系统中的层的生长。我们研究了这一现象，并基于我们最近开发的各向异性相场晶体模型[28]推导出各种各向异性差异的现象学依赖关系，例如特征层厚度和缺陷数量对失配的依赖关系。(C)2013年爱思唯尔B。版权所有© 2016
In this paper we present the application of an anisotropic phase-field crystal model to the process of the heteroepitaxial growth in anisotropic systems. During the growth of the thin films with sheared noncubic lattice the elastic strain gives rise to dislocations and grain boundaries due to the difference between the film and the substrate lattice in terms of lattice constant (misfit) and lattice shearing (anisotropy difference). The numerical simulations for various misfits and anisotropy difference demonstrate that the anisotropic evolution equation for the phase-field variables allows to simulate the growth of the layers in anisotropic systems. We investigate this phenomenon and derive the relationships for the phenomenological dependencies such as the dependence of the characteristic layer thickness and the number of defects on the misfit for various anisotropy difference based on our recently developed anisotropic phase-field crystal model [28]. (C) 2013 Elsevier B. V. All rights reserved.