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    Ab-initio calculations of Co-based diluted magnetic semiconductors Cd 1-xCoxX (X=S, Se, Te)

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    Type
    Article
    Authors
    Saeed, Yasir cc
    Nazir, Safdar
    Shaukat, Ali
    Reshak, A. H.
    KAUST Department
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2010-10
    Permanent link to this record
    http://hdl.handle.net/10754/561506
    
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    Abstract
    Ab-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.
    Citation
    Saeed, 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
    Sponsors
    A.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).
    Publisher
    Elsevier BV
    Journal
    Journal of Magnetism and Magnetic Materials
    DOI
    10.1016/j.jmmm.2010.06.001
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.jmmm.2010.06.001
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program

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