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

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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.

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Authors and Affiliations

  1. Laboratoire de la Physique Appliquée et Théorique, Université Larbi Tebessi, Tebessa, Algeria

    Amina Djabri, Mohammed Mahdi, Faïçal Chemam, Chaima Djoulah & Leila Messaoudi

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  1. Amina Djabri
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  2. Mohammed Mahdi
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  3. Faïçal Chemam
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  4. Chaima Djoulah
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  5. Leila Messaoudi
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Correspondence to Faïçal Chemam.

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Djabri, A., Mahdi, M., Chemam, F. et al. Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO3. Eur. Phys. J. B 93, 166 (2020). https://doi.org/10.1140/epjb/e2020-10190-6

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