• The origins of phase stability in ordered and disordered Ni-Pt alloys

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      https://www.ias.ac.in/article/fulltext/pram/047/02/0099-0108

    • Keywords

       

      Phase stability; ordered alloys; disordered alloys

    • Abstract

       

      Using the atomic-sphere approximation formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKR CPA) method, we have studied the effects of relativity on the electronic structure of ordered and substitutionally disordered Ni-Pt alloys. The inclusion of mass-velocity and Darwin terms are found to be essential for describing the experimentally observed ground-state properties. For the stability of disordered Ni-Pt alloys we find that, in addition to relativity, the minimization of charge-transfer effects are important. We also find that the treatment of ordering tendencies based on the band energy term alone is not sufficiently accurate for alloys with charge-transfer effects. Further analysis, in terms of basis functions, densities of states and non-spherically averaged charge densities, indicate the importance ofs- andd-electrons of Pt for the stability of both ordered and disordered Ni-Pt alloys.

    • Author Affiliations

       

      Prabhakar P Singh1

      1. Department of Physics, Indian Institute of Technology, Bombay - 400 076, India
    • Dates

       
  • Pramana – Journal of Physics | News

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