Nano Research & Applications

Optoelectronic, magnetic and structural properties of double perovskite materials affecting in Nanotechnology field

EuroSciCon Conference on Advanced Nanotechnology
April 18-19, 2019 | Paris, France

Bouabdellah Bouadjemi, M Matougui, M Houari, S Haid, T Lantri and S Bentata

Laboratory of Technology and of Solids Properties-University of Abdelhamid Ibn Badis, Algeria University of Mascara, Algeria

Posters & Accepted Abstracts: Nano Res Appl

Abstract

In this paper, we have investigated the structural, electronic, magnetic and optical properties of cubic double perovskite Sr2CrZrO6 using the full-potential linearized augmented plane wave method (FP-LAPW), based on the density functional theory (DFT) as implemented in the WIEN2K code. The exchange correlation potentials is treated by the generalized gradient approximation (GGA), GGA+U where U is on-site coulomb interaction correction as well as modified Becke-Johnson (mBJ) which have been used to correct the potential. Calculations were performed with the Birch-Murnaghan approach to determine the equilibrium phase, lattice, bulk modulus and its pressure derivative. The results display a half-metallic ferromagnetic ground state for the cubic double perovskite Sr2CrZrO6 compound due to the strong correlation effect of transition metal Cr(3d-t2g) states with the integer value of the total magnetic moment. Furthermore, we found a direct gap (Γ-Γ) around the Fermi level, making this material Sr2CrZrO6 a competent candidate for optoelectronic and spintronic applications in the future of Nanotechnology.

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