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¶ and A. Shaukat§,∗∗
∗School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876, China
†Department of Physics, University of Punjab, Quaid-e-Azam Campus, 54590 Lahore, Pakistan
‡Department of Physics, GC University Faisalabad, Allama Iqbal Road, Faisalabad 38000, Pakistan
§Department of Physics, University of Sargodha, Sargodha 40100, Pakistan
¶Department of Physics, Beijing Institute of Technology, Beijing 10008, China
Beijing Key Laboratory of Work Safety Intelligent Monitoring, Beijing University of Posts and Telecommunications, Beijing 100876, China
∗∗schaukat@gmail.com
Received 5 March 2014 Revised 20 April 2014 Accepted 23 April 2014 Published 28 May 2014
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.
https://www.academia.edu/8821219/Half-metallic_ferromagnetism_in_V-doped_ZnTe_semiconductor_at_reduced_dopant_concentration?auto=download
∗School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876, China
†Department of Physics, University of Punjab, Quaid-e-Azam Campus, 54590 Lahore, Pakistan
‡Department of Physics, GC University Faisalabad, Allama Iqbal Road, Faisalabad 38000, Pakistan
§Department of Physics, University of Sargodha, Sargodha 40100, Pakistan
¶Department of Physics, Beijing Institute of Technology, Beijing 10008, China
Beijing Key Laboratory of Work Safety Intelligent Monitoring, Beijing University of Posts and Telecommunications, Beijing 100876, China
∗∗schaukat@gmail.com
Received 5 March 2014 Revised 20 April 2014 Accepted 23 April 2014 Published 28 May 2014
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.
https://www.academia.edu/8821219/Half-metallic_ferromagnetism_in_V-doped_ZnTe_semiconductor_at_reduced_dopant_concentration?auto=download
Hello, my name is Dr Abderrahmane Reggad. I'm a 51 year old and I am a researcher in materials' sciences.
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