| 引用本文： |
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黄礼琳,华平,王玉玲,黄创高,高英俊.凸曲率衬底外延生长界面演化的晶体相场模拟[J].广西科学,2014,21(3):241-246. [点击复制]
- HUANG Li-lin,HUA Ping,WANG Yu-ling,HUANG Chuang-gao,GAO Ying-jun.Simulation of Epitaxial Growth Interface on Convex Substrate Using Phase Field Crystal Method[J].Guangxi Sciences,2014,21(3):241-246. [点击复制]
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| 摘要: |
| [目的]采用晶体相场模型模拟衬底分别为平面和凸面时外延层的生长过程。[方法]研究晶格错配度较大(ε=0.10)且衬底倾角较小(2~5°)时,系统自由能和外延层总原子数的变化,分析衬底曲率和衬底倾角对系统自由能曲线和总原子数曲线的影响。[结果]研究表明:衬底曲率为平面时,系统自由能随着倾角的增加而增加,外延层总原子数也随着倾角的增加而增加;衬底曲率为凸面时,系统自由能随着倾角的增加而减少,外延层总原子数也随着倾角的增加而减少。[结论]通过微调衬底的倾角能改变系统的自由能和外延层总原子数。 |
| 关键词: 异质外延 晶体相场 凸面衬底 原子数 |
| DOI：10.13656/j.cnki.gxkx.20140610.007 |
| 投稿时间：2013-10-10修订日期：2013-12-11 |
| 基金项目:国家自然科学基金(51161003,50661001,50061001),广西自然科学重点基金(2012GXNSFDA053001)、广西大学广西有色金属及特色材料加工重点实验室开放基金(GXKFJ12-01)和2012年广西大学本科实验技能与科技创新能力训练项目资助。 |
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| Simulation of Epitaxial Growth Interface on Convex Substrate Using Phase Field Crystal Method |
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HUANG Li-lin1, HUA Ping1, WANG Yu-ling1, HUANG Chuang-gao1,2, GAO Ying-jun1,2
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| (1.College of Physics Science and Engineering, Guangxi University, Nanning, Guangxi, 530004, China;2.Ministry Key Laboratory for Non-ferrous Metal and Featured Materials, Nanning, Guangxi, 530004, China) |
| Abstract: |
| [Objective] Phase-field crystal model is employed to simulate the process of growth of epitaxial layer on plane and convex substrates.[Methods] Under the condition of the large lattice mismatch (ε=0.10)and the small inclination, the influence of the curvature and the angle of the substrate on the systematic free energy and the total atomic number of the epitaxial layer were analyzed.[Results] The results show that when the curvature of the substrate is plane, the free energy increase with the increase of the substrate angle, and so is the total atomic number of the epitaxial layer; when the curvature of the substrate is convex, the free energy decrease with the increase of substrate angle, and so is the total atomic number of the epitaxial layer.[Conclusion] We can trimming the substrate angle to alter the system's free energy and the total atomic number of the epitaxial layer. |
| Key words: heteroepitaxy phase field crystal convex substrate atomic number |
