• Title of article

    First order structural phase transition in strontium chalcogenides at high pressure

  • Author/Authors

    Srivastava، نويسنده , , A.K. and Ahrar Mundari، نويسنده , , Noor Danish، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    6
  • From page
    384
  • To page
    389
  • Abstract
    Two body potential model, which consists of long-range Coulombic interactions, van der Waals (vdW) interaction, and short-range overlap repulsive interaction effective up to second neighbour ions, has been used to explorer the structural and elastic properties of SrX (X = O, S, Se and Te). The van der Waals coefficients, different hardness and range parameters for both the phases have been incorporated to achieve most accurate results. It is found that there is a good agreement between calculated results and available experimental results on phase transition pressure and volume collapse.
  • Keywords
    phase transition , elastic properties , Strontium chalcogenides
  • Journal title
    Computational Materials Science
  • Serial Year
    2013
  • Journal title
    Computational Materials Science
  • Record number

    1690231