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

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    • Keywords


      C-doped ZnO; diluted magnetic semiconductors; DOS.

    • 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.

    • Author Affiliations


      A El Amiri1 2 H Lassri3 E K Hlil3 M Abid1

      1. Laboratoire de Physique Fondamentale et Applique (LPFA), Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc
      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
      3. Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042 Grenoble, France
    • Dates

  • Bulletin of Materials Science | News

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