中国物理B ›› 2015, Vol. 24 ›› Issue (5): 56802-056802.doi: 10.1088/1674-1056/24/5/056802

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Molecular dynamic simulations of surface morphology and pulsedlaser deposition growth of lithium niobate thin filmson silicon substrate

刘悦a, 朱浩楠b, 裴子栋a, 孔勇发a c, 许京军a   

  1. a The MOE Key Laboratory of Weak-Light Nonlinear Photonics and TEDA Applied Physics School, Nankai University, Tianjin 300457, China;
    b School of Mathematical Science, Peking University, Beijing 100871, China;
    c R & D Center, Taishan Sports Industry Group, Leling 253600, China
  • 收稿日期:2014-07-09 修回日期:2014-11-25 出版日期:2015-05-05 发布日期:2015-05-05
  • 基金资助:
    Project Special Fund, China, and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 65030091 and 65010961).

Molecular dynamic simulations of surface morphology and pulsedlaser deposition growth of lithium niobate thin filmson silicon substrate

Liu Yue (刘悦)a, Zhu Hao-Nan (朱浩楠)b, Pei Zi-Dong (裴子栋)a, Kong Yong-Fa (孔勇发)a c, Xu Jing-Jun (许京军)a   

  1. a The MOE Key Laboratory of Weak-Light Nonlinear Photonics and TEDA Applied Physics School, Nankai University, Tianjin 300457, China;
    b School of Mathematical Science, Peking University, Beijing 100871, China;
    c R & D Center, Taishan Sports Industry Group, Leling 253600, China
  • Received:2014-07-09 Revised:2014-11-25 Online:2015-05-05 Published:2015-05-05
  • Contact: Kong Yong-Fa, Xu Jing-Jun E-mail:kongyf@nankai.edu.cn;jjxu@nankai.edu.cn
  • About author:68.35.-p; 61.72.uf; 31.15.xv
  • Supported by:
    Project Special Fund, China, and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 65030091 and 65010961).

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摘要： The molecular dynamic simulation of lithium niobate thin films deposited on silicon substrate is carried out by using the dissipative particle dynamics method. The simulation results show that the Si (111) surface is more suitable for the growth of smooth LiNbO3 thin films compared to the Si(100) surface, and the optimal deposition temperature is around 873 K, which is consistent with the atomic force microscope results. In addition, the calculation molecular number is increased to take the electron spins and other molecular details into account.

关键词: lithium niobate, silicon, dissipative particle dynamics

Abstract: The molecular dynamic simulation of lithium niobate thin films deposited on silicon substrate is carried out by using the dissipative particle dynamics method. The simulation results show that the Si (111) surface is more suitable for the growth of smooth LiNbO3 thin films compared to the Si(100) surface, and the optimal deposition temperature is around 873 K, which is consistent with the atomic force microscope results. In addition, the calculation molecular number is increased to take the electron spins and other molecular details into account.

Key words: lithium niobate, silicon, dissipative particle dynamics

中图分类号:  (Solid surfaces and solid-solid interfaces: structure and energetics)

  • 68.35.-p
61.72.uf (Ge and Si) 31.15.xv (Molecular dynamics and other numerical methods)