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Article Dans Une Revue Optik Année : 2017

Influence of the strong field in enhancing, electronic magnetic and optical properties of Mn-doped MgO

S. Meskine
  • Fonction : Auteur
D. E. Aimouch
  • Fonction : Auteur
A. Zaoui
  • Fonction : Auteur
A. Boukortt
  • Fonction : Auteur

Résumé

The local spin density approximation with Hubbard-like coulomb term based on first principles calculations are used to investigate a substitute doping of transition metal Mn in MgO. Under the crystal field theory and according to the intensity of the ligand field, the d(4)-d(8) transition elements can have two possible configurations such as the case of Mn(d(5)), in its low spin configuration that represents a strong field, the Mn+2 doped MgO material has a half-metallic character in the two proposed studies approximations: the local spin density approximation (LSDA) and (LSDA + U), a character that will enable to change the magnetic, electronic and optical properties., This result is supported by the sp-d exchange mechanism calculation confirming that the coupling between impurity and ligand is completely ferromagnetic. The material has a magnetic moment of about 1 mu(B), mainly due to the Mn impurity of around 95% in LSDA + U case. In optical propriety the material shows a slight spin polarization and reduction of band gap of around 5% with strong filed in LSDA + U case. (C) 2017 Elsevier GmbH. All rights reserved.
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Dates et versions

hal-01694472 , version 1 (27-01-2018)

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Citer

S. Meskine, D. E. Aimouch, R. Hayn, A. Zaoui, A. Boukortt. Influence of the strong field in enhancing, electronic magnetic and optical properties of Mn-doped MgO. Optik, 2017, 138, pp.295-301. ⟨10.1016/j.ijleo.2017.03.063⟩. ⟨hal-01694472⟩
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