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Applied Physics A

, 125:676 | Cite as

The effect of substitution of Cr impurities at the In sites on the structural, electronic and magnetic properties of InSb: a DFT study within mBJ potential

  • Abdelhak Laroussi
  • Mohamed BerberEmail author
  • Bendouma DoumiEmail author
  • Allel MokaddemEmail author
  • Hamza Abid
  • Abdelkader Boudali
  • Hocine Bahloul
  • Hayat Moujri
Article
  • 45 Downloads

Abstract

In this work, we have investigated the structural, electronic and magnetic properties of In1xCrxSb alloys in zinc blende at concentrations x = 0.125, 0.25, 0.50, 0.75, 0.875 and 1. We have performed our calculations by the use of first-principle methods based on spin-polarized density functional theory, where the electronic exchange–correlation potential is treated by the generalized gradient approximation GGA-WC and the improved TB-mBJ approach. The calculated structural parameters of InSb are in good agreement with the available theoretical and experimental data. The ternary In1xCrxSb alloys show half-metallic ferromagnetic behavior with a spin polarization of 100% at the Fermi level. The total magnetic moments are 3 μB for all compounds and the interaction is antiferromagnetic between Cr–Sb and Sb–In sites. These materials are half-metallic ferromagnets, and they can be potential candidates for spintronic applications.

Notes

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  1. 1.Laboratory of Physico-Chemical StudiesUniversity of SaidaSaidaAlgeria
  2. 2.Centre Universitaire Nour Bachir El-BayadhEl BayadhAlgérie
  3. 3.Laboratoire d’Instrumentation et Matériaux AvancésCentre Universitaire Nour Bachir El-BayadhEl-BayadhAlgérie
  4. 4.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaidaSaidaAlgeria
  5. 5.Applied Materials Laboratory, Research CenterSidi Bel-Abbès Djillali Liabes UniversitySidi Bel-AbbèsAlgeria
  6. 6.Renewable Energy Laboratory and Dynamic Systems, Faculté Des Sciences Ain-ChockUniversité Hassan II de CasablancaCasablancaMorocco

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