Simulation of epitaxial growth on convex substrate using phase field crystal method

doi:10.1007/s11706-014-0243-y

Frontiers of Materials Science

2014, Vol. 8

Issue (2): 185-192 https://doi.org/10.1007/s11706-014-0243-y

本期目录

Simulation of epitaxial growth on convex substrate using phase field crystal method

Ying-Jun GAO^1,^2,^*(

),Li-Lin HUANG¹,Qian-Qian DENG¹,Kui LIN¹,Chuang-Gao HUANG^1,²

1. College of Physical Science and Engineering, Guangxi University, Nanning 530004, China
2. Ministry Key Laboratory for Non-Ferrous Metal and Featured Materials, Nanning 530004, China

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Abstract：

Phase field crystal (PFC) model is employed to simulate the process of growth of epitaxial layer on plane-convex substrate with a lattice mismatch and a small inclination angle. The variation of the systematic free energy, the total atomic number of the epitaxial layer, and the effect of the curvature and the angle of the substrate are analyzed. The results show that when the surface of the substrate is plane, the free energy increases with the increase of the substrate inclination angle, and also the total atomic number of the epitaxial layer increases; while the surface of the substrate is convex, the free energy decreases with the increase of substrate angle and so also the total atomic number of the epitaxial layer decrease. This is the reason that the frontier of surface of epitaxial layer changes from the step bunching to the hill-and-valley facet structure with the increasing of the inclination angle of convex substrate. These results are in good agreement with the other method results.

Key words： heteroepitaxy phase field crystal (PFC) convex substrate atomic number

收稿日期: 2014-02-25 出版日期: 2014-06-24

Corresponding Author(s): Ying-Jun GAO

引用本文:

. [J]. Frontiers of Materials Science, 2014, 8(2): 185-192.
Ying-Jun GAO,Li-Lin HUANG,Qian-Qian DENG,Kui LIN,Chuang-Gao HUANG. Simulation of epitaxial growth on convex substrate using phase field crystal method. Front. Mater. Sci., 2014, 8(2): 185-192.

链接本文:

https://academic.hep.com.cn/foms/CN/10.1007/s11706-014-0243-y
https://academic.hep.com.cn/foms/CN/Y2014/V8/I2/185

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