Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu

doi:10.3696/j.issn.1672-6952.2011.01.019

Journal of Liaoning Petrochemical University ›› 2011, Vol. 31 ›› Issue (1): 67-71.DOI: 10.3696/j.issn.1672-6952.2011.01.019

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Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu

ZHAO Qiang[Author]) AND 1[Journal]) AND year[Order])" target="_blank">ZHAO Qiang¹，ZHAO Qian¹，QI Yang²

1.College of Science, Shenyang University of Technology, Shenyang Liaoning 110780, P.R.China; 

2.Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang Liaoning 110004, P.R.China

Received:2010-11-21 Published:2011-03-25 Online:2017-07-05

凹槽形Cu衬底上同质外延生长的分子动力学模拟

赵强1,赵骞1,祁阳2

1.沈阳工业大学理学院,辽宁沈阳110780;2.东北大学理学院材料物理与化学研究所,辽宁沈阳110004

作者简介:赵强(1969-),男,辽宁沈阳市,副教授,博士。
基金资助:
辽宁省教育厅高校科学技术研究项目(No.20076462)。

Abstract

Abstract:

Application of molecular dynamics simulation in different engraved with "deep / wide" for the rectangular cross-section groove and the Cu substrate on the epitaxial growth process of homogeneous using embedded-atom method model among atoms (EAM). Simulation results show that the "depth/width" of the groove and deposition of particles to the incident angle θ of the grain boundary and V → / V ↑influence, with the incident θ can be increased with the increase of it, with the incident V → / V ↑ can be decreased; When the temperature is 1 000 K, the "depth / width" is 1/2, a better film can not be formed, thin film epitaxial growth direction of the surface of all vertical. When the "depth / width" is 1/1, the incident can be formed at 10 eV better film.

Key words: Molecular dynamics , , Epitaxial growth , , Computer simulation

摘要： 应用分子动力学方法模拟在刻有不同“深/宽”且截面为矩形凹槽的Cu衬底上进行同质外延生长的
过程。原子间采用嵌入原子方法(EAM)模型。模拟结果表明,凹槽的“深/宽”及沉积粒子的入射能对晶界倾角θ 和
V→/V↑ 产生影响,θ 随入射能增大而增大,V→/V↑ 随入射能增大而减小;在1000K 温度时,“深/宽”为1/2时,不能
形成较理想的薄膜,薄膜表面外延生长方向全部为竖直方向;而在“深/宽”为1/1,入射能为10eV 时,能形成较理想
薄膜。

关键词: 分子动力学 , , , 外延生长 , , , , 计算机模拟

ZHAO Qiang，ZHAO Qian，QI Yang. Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu[J]. Journal of Liaoning Petrochemical University, 2011, 31(1): 67-71.

赵强,赵骞,祁阳. 凹槽形Cu衬底上同质外延生长的分子动力学模拟[J]. 辽宁石油化工大学学报, 2011, 31(1): 67-71.

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Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu

凹槽形Cu衬底上同质外延生长的分子动力学模拟

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