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First-Principle Investigations of Structural, Electronic, and Half-Metallic Ferromagnetic Properties in In1−xTM x P (TM = Cr, Mn)

  • M. Boutaleb
  • A. Tadjer
  • B. Doumi
  • A. Djedid
  • A. Yakoubi
  • F. Dahmane
  • B. Abbar
Review Paper

Abstract

First-principle calculations within the framework of density functional theory are employed to study the structural, electronic, and half-metallic ferromagnetic properties of In1−x (TM) x P (TM = Cr, Mn) at concentrations (x = 0.0625, 0.125, 0.25)of transition metal in zinc blende phase. The investigations of electronic and magnetic properties indicate that In1−xTM x P (TM = Cr, Mn) at x = 0.0625, 0.125, and 0.25 are half-metallic ferromagnets with 100 % magnetic spin polarization. On the one hand, the total magnetization is an integer Bohr magneton of 3 μ B and 4 μ B for In1−xCr x P and In1−xMn x P, respectively, which confirms the half-metallic feature of In1−xTM x P compounds. On the other hand, the densities of states of majority-spin states show that the large hybridization between 3p (P) and 3d (TM) partially filled states dominates the gap, which stabilizes the ferromagnetic state configuration associated with double-exchange mechanism. The band structures depict that half-metallic gap at x = 0.0625 is 0.404 eV for In1−xCr x P which is higher than 0.125 eV for In1−xMn x P. Therefore, the largest half-metallic gap in In1−xCr x P at low concentration x = 0.0625 reveals that Cr-doped InP seem to be a more potential candidate than that Mn-doped InP for spin injection applications in the field of spintronic devices.

Keywords

Spintronics Half metals Ferromagnetic properties Electronic structures (Cr Mn)-doped InP 

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • M. Boutaleb
    • 1
  • A. Tadjer
    • 1
  • B. Doumi
    • 1
  • A. Djedid
    • 1
  • A. Yakoubi
    • 1
  • F. Dahmane
    • 1
  • B. Abbar
    • 1
  1. 1.Modelling and Simulation in Materials Science LaboratoryPhysics Department, Djillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria

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