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- Title
Half-metallic ferromagnetism in V-doped ZnTe semiconductor at reduced dopant concentration.
- Authors
Sajjad, M.; Zhang, H. X.; Noor, N. A.; Alay-e-Abbas, S. M.; Abid, M.; Shaukat, A.
- Abstract
In this study, we examine the structural, electronic, magnetic and bonding properties of zincblende phase Zn1-xVxTe (x = 0.0625, 0.125, 0.25) compounds to present them as suitable candidates for spintronic applications. Density functional theory calculations have been used by implementing the accurate full-potential linear-augmented-planewave plus local-orbital method. Structural properties have been computed using Wu–Cohen generalized gradient approximation, whereas the modified Becke and Johnson local (spin) density approximation (mBJLDA) function has been employed for the evaluating ground state electronic properties and ferromagnetic behavior. The half-metallic (HM) ferromagnetism in Zn1-xVxTe is analyzed in terms of V-3d states and it is shown that mBJLDA predicts wide HM gaps which promise the possibility of achieving V-doped ZnTe with high Curie temperature. The spin exchange splittings Δx(d) and Δx(pd) have been estimated and the contribution of conduction band (CB) and valence band (VB) in exchange splitting is calculated in terms of the exchange constants N0α and N0β. Furthermore, spin-polarized charge density calculation is presented for elucidating the bonding nature, while pressure dependence of total magnetic moment for three concentrations of V-doped ZnTe is also discussed.
- Subjects
SPHALERITE; FERROMAGNETISM; DOPED semiconductors; METALLIC composites; REDUCING agents; DOPING agents (Chemistry); MAGNETIC properties of metals; ELECTRIC properties of metals
- Publication
Modern Physics Letters B, 2014, Vol 28, Issue 13, p1450104-1
- ISSN
0217-9849
- Publication type
Article
- DOI
10.1142/S0217984914501048