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Study of Electronic and Magnetic Properties of Zn1−x M x O (M = Mn and Cr) by ab initio Calculations

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Abstract

The electronic structure and ferromagnetic properties of Zn1−x M x O (M = Mn and Cr) have been investigated by using the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA). The half-metal behavior is observed for different doping concentrations. The gap energies are deduced for different dilution x values. The magnetic moment of each atom and the total magnetic moment are computed. A special attention is paid to the discussion of the mechanism of ferromagnetism in these components.

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Authors and Affiliations

  1. Faculté des sciences, Laboratoire de Magnétisme et de Physique des Hautes Energies Département de Physique, B.P. 1014, Rabat, Morocco

    A. Rkhioui, R. Masrour, L. Bahmad & A. Benyoussef

  2. Laboratory of Materials, Processes, Environment and Quality, National School of Applied Sciences, Cady Ayyed University, Safi, Morocco

    R. Masrour

  3. Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042, Grenoble cedex 9, France

    E. K. Hlil

  4. INANOTECH (Institute of Nanomaterials and Nanotechnology), MascIR, Rabat, Morocco

    M. Hamedoun & A. Benyoussef

  5. Hassan II Academy of Sciences and Technologies, Rabat, Morocco

    A. Benyoussef

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  1. A. Rkhioui
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  2. R. Masrour
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  3. E. K. Hlil
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  4. L. Bahmad
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  5. M. Hamedoun
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  6. A. Benyoussef
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Correspondence to R. Masrour.

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Rkhioui, A., Masrour, R., Hlil, E.K. et al. Study of Electronic and Magnetic Properties of Zn1−x M x O (M = Mn and Cr) by ab initio Calculations. J Supercond Nov Magn 26, 3469–3474 (2013). https://doi.org/10.1007/s10948-013-2195-3

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  • DOI: https://doi.org/10.1007/s10948-013-2195-3

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