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Optical and Magnetic Properties of Half-metallic (Zn, Mn)O Behaviors with LDA and LDA-SIC Approximations

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Abstract

Based on first-principles spin-density functional calculations, the optical and magnetic properties of Mn-doped ZnO diluted magnetic semiconductors with acceptor defects by Zn vacancies (VZn) are studied, using the Korringa–Kohn–Rostoker method (KKR) combined with the coherent potential approximation (CPA). Ferromagnetic and half-metallic behaviors were observed and confirmed with the local-moment-disordered (LMD) state energy for local density approximation (LDA) and local density approximation-self-interaction correction (LDA-SIC). The mechanism of hybridization and the interaction between magnetic ions in P-type (Zn, Mn)O are also investigated. Moreover, the optical absorption spectra obtained by ab-initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities.

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Authors and Affiliations

  1. LMPHE (URAC 12), Departement de physique, Faculte des sciences, Universite Mohammed V-Agdal, B.P. 1014, Rabat, Morocco

    E. Salmani, H. Ez-Zahraouy & A. Benyoussef

  2. The Institute for Nanomaterials and Nanotechnology, MAScIR (Moroccan fondation for Advanced Science, Innovation and Research), Rabat, Morocco

    O. Mounkachi, M. Hamedoun & A. Benyoussef

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  1. E. Salmani
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  2. O. Mounkachi
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  3. H. Ez-Zahraouy
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  4. M. Hamedoun
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  5. A. Benyoussef
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Correspondence to H. Ez-Zahraouy.

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Salmani, E., Mounkachi, O., Ez-Zahraouy, H. et al. Optical and Magnetic Properties of Half-metallic (Zn, Mn)O Behaviors with LDA and LDA-SIC Approximations. J Supercond Nov Magn 26, 229–236 (2013). https://doi.org/10.1007/s10948-012-1731-x

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  • DOI: https://doi.org/10.1007/s10948-012-1731-x

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