• DocumentCode
    3603875
  • Title

    Effect of Pt Doping on B2-Phase Ordering Temperature of Co-Based Heusler Alloy: An Ab Initio Study

  • Author

    Zhao, B. ; Xu, X.G.

  • Author_Institution
    Sch. of Mater. Sci. & Eng., Univ. of Sci. & Technol., Beijing, China
  • Volume
    51
  • Issue
    11
  • fYear
    2015
  • Firstpage
    1
  • Lastpage
    4
  • Abstract
    In this paper, we propose a Pt-doping method to effectively decrease the phase transformation temperature of Co2FeAl0.5Si0.5 (CFAS) from A2 phase to B2 phase based on first-principle calculations. It has been demonstrated that the Pt atom tends to reside in the Si site to lower the system free energy. Meanwhile, the spin polarization can be reserved as 100% after Pt doping in a proper concentration less than 3.125%. Transition state search shows that the atomic diffusion barrier of Pt-doped CFAS is lower than that of the CFAS. Therefore, Pt doping in CFAS is a possible method to obtain ordered B2 phase at low annealing temperature.
  • Keywords
    ab initio calculations; aluminium alloys; annealing; cobalt alloys; diffusion; doping profiles; electron spin polarisation; free energy; iron alloys; platinum; silicon alloys; solid-state phase transformations; B2-phase ordering temperature; Co2FeAl0.5Si0.5:Pt; ab initio calculations; atomic diffusion; doping effect; first-principle calculations; free energy; low annealing temperature; phase transformation temperature; spin polarization; Annealing; Atomic measurements; Doping; Iron; Magnetic moments; Silicon; First-principles; Heusler alloy; first-principles; phase transformation temperature;
  • fLanguage
    English
  • Journal_Title
    Magnetics, IEEE Transactions on
  • Publisher
    ieee
  • ISSN
    0018-9464
  • Type

    jour

  • DOI
    10.1109/TMAG.2015.2458333
  • Filename
    7163360
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3603875