Research on Silicon Content and Structure Relationship of Amorphous Si-DLC Films by Molecular Dynamics Simulations

  • H. Lan
  • T. Kumagai
  • T. Kato
Conference paper


Molecular dynamics simulations with increased cutoff parameters in an empirical Tersoff potential have been used to predict the three-dimensional structures of amorphous Si-DLC films at different silicon contents ranging from 0 to 0.2. The structures for these solid amorphous systems were generated by melting a cubic cell with 1000 atoms, followed by rapid quenching from the liquid phase. The results show that the microstructures of Si-DLC films have changed greatly with the silicon content and density. Furthermore, the sp3/sp2 ratio increases with an increase in silicon content, and silicon atoms are almost surrounded by carbon atoms.


Si-DLC films Molecular dynamics Structures 


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Copyright information

© Tsinghua University Press, Beijing and Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

  • H. Lan
    • 1
  • T. Kumagai
    • 2
  • T. Kato
    • 2
  1. 1.School of Mechanical, Electronic, and Control EngineeringBeijing Jiaotong UniversityBeijingChina
  2. 2.Department of Mechanical EngineeringThe University of TokyoTokyoJapan

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