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dc.contributor.authorSaeed, Yasir
dc.contributor.authorNazir, Safdar
dc.contributor.authorShaukat, Ali
dc.contributor.authorReshak, A. H.
dc.date.accessioned2015-08-02T09:13:01Z
dc.date.available2015-08-02T09:13:01Z
dc.date.issued2010-10
dc.identifier.citationSaeed, Y., Nazir, S., Shaukat, A., & Reshak, A. H. (2010). Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1−xCoxX (X=S, Se, Te). Journal of Magnetism and Magnetic Materials, 322(20), 3214–3222. doi:10.1016/j.jmmm.2010.06.001
dc.identifier.issn03048853
dc.identifier.doi10.1016/j.jmmm.2010.06.001
dc.identifier.urihttp://hdl.handle.net/10754/561506
dc.description.abstractAb-initio calculations are performed to investigate the structural, electronic and magnetic properties of spin-polarized diluted magnetic semiconductors composed of IIVI compounds Cd1-xCoxX (X=S, Se, Te) at x=0.25. From the calculated results of band structure and density of states, the half-metallic character and stability of ferromagnetic state for Cd1-xCoxS, Cd1-xCoxSe and Cd 1-xCoxTe alloys are determined. It is found that the tetrahedral crystal field gives rise to triple degeneracy t2g and double degeneracy eg. Furthermore, we predict the values of spin-exchange splitting energies Δx(d) and Δ x(p-d) and exchange constants N0α and N 0β produced by the Co 3d states. Calculated total magnetic moments and the robustness of half-metallicity of Cd1-xCo xX (X=S, Se, Te) with respect to the variation in lattice parameters are also discussed. We also extend our calculations to x=0.50, 0.75 for S compounds in order to observe the change due to increase in Co. © 2010 Elsevier B.V.
dc.description.sponsorshipA.H. Reshak and Y. Saeed would like to thank for the support from the institutional research concept of the Institute of Physical Biology, UFB (no. MSM6007665808).
dc.publisherElsevier BV
dc.subjectAb-initio calculations
dc.subjectDensity functional theory
dc.subjectDilute magnetic semiconductors
dc.subjectElectronic and magnetic properties
dc.titleAb-initio calculations of Co-based diluted magnetic semiconductors Cd 1-xCoxX (X=S, Se, Te)
dc.typeArticle
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of Magnetism and Magnetic Materials
dc.contributor.institutionInstitute of Physical Biology, South Bohemia University, Nove Hrady 37333, Czech Republic
dc.contributor.institutionDepartment of Physics, GC University, Faisalabad 38000, Pakistan
dc.contributor.institutionDepartment of Physics, University of Sargodha, Sargodha 40100, Pakistan
dc.contributor.institutionSchool of Microelectronic Engineering, University Malaysia Perlis (UniMAP), Kompleks Pusat Pengajian, 02600 Arau Jejawi, Perlis, Malaysia
kaust.personNazir, Safdar


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