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Journal of Superconductivity and Novel Magnetism

, Volume 32, Issue 2, pp 413–423 | Cite as

Ab Initio Investigation of Structural, Electronic, and Magnetic Properties of Cr-Doped ZnS and ZnSe in Wurtzite Structure

  • O. Cheref
  • M. Merabet
  • S. Benalia
  • N. Bettaher
  • D. RachedEmail author
  • L. Djoudi
Original Paper
  • 58 Downloads

Abstract

Using the first-principles calculations with the full potential linear muffin–tin orbital (FP-LMTO) method, we investigated the structural, electronic, and magnetic properties of Zn1−xCrx(S,Se)-diluted magnetic semiconductors (DMSs) in wurtzite structures with varying concentrations (x = 0.0625, x = 0.125, and x = 0.25) of Cr. The electronic properties indicated that Zn1−xCrx(S,Se), in all concentrations, exhibited half-metallic ferromagnetic (HMF) behavior with spin polarization of 100%. The density of states showed a hybridization between the p(S, Se) and 3d(Cr) states, which created an antibonding state in the gap that stabilized the ferromagnetic ground state linked to the double-exchange mechanism. Therefore, these compounds are highly likely candidates for spintronic applications.

Keywords

DMS Electronic properties Magnetic properties Spintronics 

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • O. Cheref
    • 1
  • M. Merabet
    • 1
    • 2
  • S. Benalia
    • 1
    • 2
  • N. Bettaher
    • 1
  • D. Rached
    • 1
    Email author
  • L. Djoudi
    • 1
    • 2
  1. 1.Laboratoire des Matériaux Magnétiques, Faculté des SciencesUniversité Djillali Liabès de Sidi-Bel-AbbèsSidi Bel AbbèsAlgeria
  2. 2.Département de Physique, Institue des Sciences et des TechnologiesCentre Universitaire de TissemsiltTissemsiltAlgeria

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