• DocumentCode
    2122294
  • Title

    First-principle study of V-Si-N nanocomposite thin film structure

  • Author

    Jia, Hui-ling ; Liu, Xue-jie

  • Author_Institution
    Institute of Mechanical Engineering, Inner Mongolia University of Sciences and Technology, Baotou, China
  • fYear
    2010
  • fDate
    4-6 Dec. 2010
  • Firstpage
    5124
  • Lastpage
    5126
  • Abstract
    First-principles pseudopotential method based on density functional theory have been used to calculate total energy and lattice constant of VN lattice supercell, which optimizes the structural model of VN lattice. Where Si atoms diffuse into VN lattice is studied. The calculated results reveal that Si atoms transfer to the VN lattice boundary or occupy the V atom sites when V-Si-N nanocomposite thin film is in the stable state.
  • Keywords
    Coatings; Films; Lattices; Physics; Silicon; Surface morphology; Tin; First Principle; nanocomposite film; site occupancy;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Information Science and Engineering (ICISE), 2010 2nd International Conference on
  • Conference_Location
    Hangzhou, China
  • Print_ISBN
    978-1-4244-7616-9
  • Type

    conf

  • DOI
    10.1109/ICISE.2010.5690194
  • Filename
    5690194
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=2122294