Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO 3
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THE EUROPEAN PHYSICAL JOURNAL B
Regular Article
Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO3 Amina Djabri, Mohammed Mahdi † , Fa¨ı¸cal Chemam a , Chaima Djoulah, and Leila Messaoudi Laboratoire de la Physique Appliqu´ee et Th´eorique, Universit´e Larbi Tebessi, Tebessa, Algeria
Received 13 April 2020 / Received in final form 15 June 2020 Published online 2 September 2020 c EDP Sciences / Societ`
a Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020 Abstract. The full potential linear augmented plane wave method including Hubbard potential and spinorbit 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.
1 Introduction Multiferroics materials that have more than one property such as magnetism, ferroelectric, and ferroelectricity are of great interest for spintronics technology such as memory and logic device applications [1,2]. The multiferroic perovskite BiFeO3 has attracted the attention of researchers for its capacities to present magnetism, ferromagnetism and antiferromagnetism with Neel temperature TN = 635 K, furthermore it has a ferroelectric properties at temperatures much higher than room temperature [3]. BiFeO3 comes in different phases for type structures (rhombohedral; R3c); (cubic; Fm3m), ¯ (tetragonal; P4mm), (rhombohedral; R3¯ c), (monoclinic; I2/a), (monoclinic; Cm), (orthorhombic; Pnma) and (monoclinic; P 21 /c) [4]. Ravindran et al. [4] found that two ferroelectric structures such as tetragonal P4mm and monoclinic Cm structures have an expanded lattice. While the structural properties of bulk BiFeO3 are fairly well known, the internal structure of the thin film material is a subject to many questions. Wang et al. [5] have prepared BiFeO3 samples for their application of heterostructures thin film. The thin layers of BiFeO3 have mixed rhombohedral and tetragonal phases [6]. The tetragonal phase in the thin layer has a P4mm symmetry. In an epitaxial a
e-mail: [email protected]; [email protected] Dr. Mahdi Mohammed died in Tebessa city on the 20 January 2020. †
heterostructure prepared by a pulsed laser deposition (PLD), the tetragonal p
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