1. First-Principle Investigations of Structural, Electronic, and Half-Metallic Ferromagnetic Properties in InTMP (TM = Cr, Mn).
- Author
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Boutaleb, M., Tadjer, A., Doumi, B., Djedid, A., Yakoubi, A., Dahmane, F., and Abbar, B.
- Subjects
DENSITY functional theory ,FERROMAGNETIC materials ,SPHALERITE ,TRANSITION metals ,ELECTRIC properties of metals ,MAGNETIC properties of metals ,BOHR magneton ,SPIN polarization - Abstract
First-principle calculations within the framework of density functional theory are employed to study the structural, electronic, and half-metallic ferromagnetic properties of In (TM)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 InTMP (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 and 4 μ for InCrP and InMnP, respectively, which confirms the half-metallic feature of InTMP 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 InCrP which is higher than 0.125 eV for InMnP. Therefore, the largest half-metallic gap in InCrP 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. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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