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Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO3

Author

Listed:
  • Amina Djabri

    (Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi)

  • Mohammed Mahdi

    (Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi)

  • Faïçal Chemam

    (Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi)

  • Chaima Djoulah

    (Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi)

  • Leila Messaoudi

    (Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi)

Abstract

The full potential linear augmented plane wave method including Hubbard potential and spin-orbit coupling are performed to study the structural, electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO3. Using the exchange correlations potentials generalized gradient plus Hubbard parameter (GGA + U) approximations are used for the description of electron-electron interactions. We studied first the structural properties which present a tetragonal distortion results from the stereochemical 6s2 lone pair of Bi+2 and the Jahn-Teller (JT) distortion effect of Fe+3 and the value of c∕a = 1.28. The calculated gap is 2.0 eV at Ueff = 4 eV. The magnetic moment of Fe in phase is 3.65 μB. Kerr and ellipticity are calculated by using a spin-orbit coupling and Hubbard potential which present a high angles values −1.0° and 1.5° respectivly. In plane uniaxial and fourfold anisotropy constants are determined from the fit curves of DFT calculation. We observed a predominance of uniaxial anisotopy on the fourdfold anisotropy. Graphical abstract

Suggested Citation

  • Amina Djabri & Mohammed Mahdi & Faïçal Chemam & Chaima Djoulah & Leila Messaoudi, 2020. "Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO3," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 93(9), pages 1-7, September.
    • Handle: RePEc:spr:eurphb:v:93:y:2020:i:9:d:10.1140_epjb_e2020-10190-6
    DOI: 10.1140/epjb/e2020-10190-6
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    Computational Methods;

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