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Explanation of ferromagnetism origin in N-doped ZnO by first-principle calculations

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Abstract

By ab-initio calculations, the possible source of ferromagnetism in N-doped ZnO compound was systematically studied. The electronic structure and magnetic properties of N-doped ZnO with/without ZnO host and N defects were investigated using the Korringa–Kohn–Rostoker method combined with coherent potential approximation. It was shown that Zn vacancy and the presence of N defects (substitutional, interstitial or combination of both) induce the ferromagnetism in N-doped ZnO. From density of state analysis, it was shown that p–p interaction between 2p-elements (N,O) is the mechanism of ferromagnetic coupling in N-doped ZnO.

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Authors and Affiliations

  1. Laboratoire de Physique Fondamentale et Appliquée (LPFA), Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc

    A EL AMIRI & M ABID

  2. Laboratoire de Physique des Matériaux, Micro-électronique, Automatique et Thermique (LPMMAT), Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc

    A EL AMIRI

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

    H LASSRI & E K HLIL

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  1. A EL AMIRI
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  2. H LASSRI
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  3. E K HLIL
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  4. M ABID
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Correspondence to A EL AMIRI.

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AMIRI, A.E., LASSRI, H., HLIL, E.K. et al. Explanation of ferromagnetism origin in N-doped ZnO by first-principle calculations. Bull Mater Sci 39, 315–319 (2016). https://doi.org/10.1007/s12034-015-1144-0

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  • DOI: https://doi.org/10.1007/s12034-015-1144-0

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