中国物理B ›› 2016, Vol. 25 ›› Issue (7): 78109-078109.doi: 10.1088/1674-1056/25/7/078109

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇    下一篇

Molecular dynamics study of anisotropic growth of silicon

Naigen Zhou(周耐根), Bo Liu(刘博), Chi Zhang(张弛), Ke Li(李克), Lang Zhou(周浪)   

  1. 1 School of Materials Science and Engineering, Nanchang University, Nanchang 330031, China;
    2 Institute of Photovoltaics, Nanchang University, Nanchang 330031, China
  • 收稿日期:2016-01-24 修回日期:2016-03-08 出版日期:2016-07-05 发布日期:2016-07-05
  • 通讯作者: Lang Zhou E-mail:lzhou@ncu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 51361022, 51561022, and 61464007) and the Natural Science Foundation of Jiangxi Province, China (Grant No. 20151BAB206001).

Molecular dynamics study of anisotropic growth of silicon

Naigen Zhou(周耐根)1, Bo Liu(刘博)1, Chi Zhang(张弛)1, Ke Li(李克)1, Lang Zhou(周浪)1,2   

  1. 1 School of Materials Science and Engineering, Nanchang University, Nanchang 330031, China;
    2 Institute of Photovoltaics, Nanchang University, Nanchang 330031, China
  • Received:2016-01-24 Revised:2016-03-08 Online:2016-07-05 Published:2016-07-05
  • Contact: Lang Zhou E-mail:lzhou@ncu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 51361022, 51561022, and 61464007) and the Natural Science Foundation of Jiangxi Province, China (Grant No. 20151BAB206001).

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摘要： Based on the Tersoff potential, molecular dynamics simulations have been performed to investigate the kinetic coefficients and growth velocities of Si (100), (110), (111), and (112) planes. The sequences of the kinetic coefficients and growth velocities are μ(100)> μ(110)> μ(112) > μ(111) and v(100)> v(110) > v(112) > v(111), respectively, which are not consistent with the sequences of the interface energies, interplanar spacings, and melting points of the four planes. However, they agree well with the sequences of the distributions and diffusion coefficients of the melting atoms near the solid-liquid interfaces. It indicates that the atomic distributions and diffusion coefficients affected by the crystal orientations determine the anisotropic growth of silicon. The formation of stacking fault structure will further decrease the growth velocity of the Si (111) plane.

关键词: anisotropy growth, kinetic coefficient, silicon, molecular dynamics

Abstract: Based on the Tersoff potential, molecular dynamics simulations have been performed to investigate the kinetic coefficients and growth velocities of Si (100), (110), (111), and (112) planes. The sequences of the kinetic coefficients and growth velocities are μ(100)> μ(110)> μ(112) > μ(111) and v(100)> v(110) > v(112) > v(111), respectively, which are not consistent with the sequences of the interface energies, interplanar spacings, and melting points of the four planes. However, they agree well with the sequences of the distributions and diffusion coefficients of the melting atoms near the solid-liquid interfaces. It indicates that the atomic distributions and diffusion coefficients affected by the crystal orientations determine the anisotropic growth of silicon. The formation of stacking fault structure will further decrease the growth velocity of the Si (111) plane.

Key words: anisotropy growth, kinetic coefficient, silicon, molecular dynamics

中图分类号:  (Methods of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)

  • 81.10.-h
81.10.Aj (Theory and models of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation) 87.10.Tf (Molecular dynamics simulation)