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

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

Abstract

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.

Keywords

Si-DLC films Molecular dynamics Structures 

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References

  1. [1]
    Oguri K, Arai T., 1992, “Two different low friction mechanisms of diamond-like carbon with silicon coatings formed by plasma-assisted chemical vapor deposition”, J Mater Res, 7: pp.1313CrossRefGoogle Scholar
  2. [2]
    Varma A, Palshin V, Meletis E I., 2001, “Structure-property relationship of Si-DLC films”, Surf Coat Technol, 148: pp.305–314CrossRefGoogle Scholar
  3. [3]
    Kim M G, Lee K R, Eun K Y., 1999, “Tribological behavior of silicon-incorporated diamond-like carbon films”, Surf Coat Technol, 112: pp.204–209CrossRefGoogle Scholar
  4. [4]
    Papakonstantinou P, Zhao J F, Lemoine P, et al., 2002, “The effects of Si incorporation on the electrochemical and nanomechanical properties of DLC thin films”, Diamond Relat Mater, 11: pp.1074–1080CrossRefGoogle Scholar
  5. [5]
    Iseki T, Mori H, Hasegawa H, et al., 2006, “Structural analysis of Si-containing diamond-like carbon”, Diamond Relat Mater, 15: pp.1004–1010CrossRefGoogle Scholar
  6. [6]
    Lee S, Kim D S, Rhee S G, et al., 1999, “Structure and optical properties of Si incorporated diamond-like carbon films deposited by r.f. plasma-assisted chemical vapor deposition”, Thin Solid Films, 341: pp.68–72CrossRefGoogle Scholar
  7. [7]
    Choi J, Tsunoda A, Kato T, et al., 2008, “Low friction mechanism of Si-incorporated diamond-like carbon coatings”, STLE 63rd conference Proceeding, pp.101Google Scholar
  8. [8]
    Tersoff J., 1988, “Empirical interatomic potential for carbon, with applications to amorphous carbons”, Phys Rev Lett, 61: pp.2879–2882CrossRefGoogle Scholar
  9. [9]
    Tersoff J., 1994, “Chemical order in amorphous silicon carbide”, Phy Rev B, 49: pp.16349CrossRefGoogle Scholar
  10. [10]
    Ivashchenko V I, Turchi P E A, Gonis A, et al., 2005, “Tribology of amorphous, nanocrystalline, and crystalline slabs of Si, C, and SiC”, Phys Rev B, 72: pp.115202CrossRefGoogle Scholar
  11. [11]
    Kelires P C., 1997, “Short-range order, bulk moduli, and physical trends in c-Si1-xCx alloys”, Phys Rev B, 55: pp.8784CrossRefGoogle Scholar
  12. [12]
    Jäger H U, Albe K., 2000, “Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films”, J Appl Phys, 88(2): pp.1129–1135CrossRefGoogle Scholar
  13. [13]
    Kittel C., 2000, Introduction to solid state physics (8th edition), John Wiley & SonsGoogle Scholar
  14. [14]
    Palshin V, Tittsworth R C, Fountzoulas C G, et al., 2002, “X-ray absorption spectroscopy, simulation and modeling of Si-DLC films”, J Mater Sci, 37: pp.1535–1539CrossRefGoogle Scholar

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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