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Structural, Magnetic, and Band Structure Characteristics of the Half-Metal–Type Heusler Alloys Co2VSi1−xAlx (x = 0, 0.25, 0.5, 0.75, and 1)

  • Ali BentouafEmail author
  • Farida Bouras
  • Rezki Mebsout
  • Brahim Aïssa
Original Paper
  • 24 Downloads

Abstract

We investigated the structural, magnetic, and band structure properties of the quaternary full Heusler compounds Co2VSi1−xAlx (x = 0, 0.25, 0.5, 0.75, and 1) by using full-potential linearized augmented-plane wave (FP-LAPW) method based on WIEN2k program The structural parameters are computed by the generalized gradient approximations (GGA) while for the electronic and magnetic properties, GGA and modified Becke–Johnson (mBj) schemes are used. It is shown that the equilibrium lattice constants and spin magnetic moment are in good agreement with the experimental values. The density of states (DOS) of Co2VSi and Co2VAl ternary full Heusler compounds shows a half-metallic character while for the Co2VSi1−xAlx (x = 0, 0.25, 0.5, 0.75, and 1), Heusler alloys exhibit a nearly half-metallic behavior with small spin-down at the Fermi level.

Keywords

Ab initio calculation DFT Heusler alloy Half metallic Electronic properties Becke–Johnson (mBj) 

Notes

Funding Information

This work is supported by the Algerian University research project (CNEPRU) under No. B00L02UN02012015001.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Ali Bentouaf
    • 1
    • 2
    Email author
  • Farida Bouras
    • 2
    • 3
  • Rezki Mebsout
    • 3
  • Brahim Aïssa
    • 4
    • 5
  1. 1.Faculty of TechnologyUniversity of Dr. Moulay TaharSaidaAlgeria
  2. 2.Laboratory of Physical Chemistry of Advanced MaterialsUniversity of Djillali LiabesSidi-Bel-AbbesAlgeria
  3. 3.Department of Physic, Faculty of SciencesUniversity of Djilali LiabesSidi Bel AbbesAlgeria
  4. 4.Qatar Environment and Energy Research Institute (QEERI)Hamad Bin Khalifa University, Qatar FoundationDohaQatar
  5. 5.Space & Photonics DivisionMPB Technologies Inc.QuebecCanada

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