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

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 BiFeO 3 . Using the exchange correlations potentials generalized gradient plus...

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Bibliographic Details
Published in:The European physical journal. B, Condensed matter physics Condensed matter physics, 2020-09, Vol.93 (9), Article 166
Main Authors: Djabri, Amina, Mahdi, Mohammed, Chemam, Faïçal, Djoulah, Chaima, Messaoudi, Leila
Format: Article
Language:English
Subjects:
Anisotropy
Bismuth ferrite
Complex Systems
Condensed Matter Physics
Distortion
Ellipticity
Fluid- and Aerodynamics
Jahn-Teller effect
Magnetic anisotropy
Magnetic moments
Magnetic properties
Mathematical analysis
Optical properties
Physics
Physics and Astronomy
Plane waves
Regular Article
Solid State Physics
Spin-orbit interactions
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Summary: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 BiFeO 3 . 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 6 s 2 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 U eff = 4 eV. The magnetic moment of Fe in phase is 3.65 μ B . 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
ISSN:1434-6028
1434-6036
DOI:10.1140/epjb/e2020-10190-6