Half-metallic ferromagnetism in V-doped ZnTe semiconductor at reduced dopant concentration

M. Sajjad, H. X. Zhang, N. A. Noor, S. M. Alay-E-Abbas, M. Abid, A. Shaukat

Research output: Journal PublicationArticlepeer-review

10 Citations (Scopus)


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 N0 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.

Original languageEnglish
Article number1450104
JournalModern Physics Letters B
Issue number13
Publication statusPublished - 30 May 2014
Externally publishedYes


  • Ab initio calculations
  • Doped semiconductors
  • Electronic properties
  • Ferromagnetic materials

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Condensed Matter Physics


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