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A p r i l 1 8 - 1 9 , 2 0 1 9
P a r i s , F r a n c e
Page 39
Nano Research & Applications
ISSN: 2471-9838
Advanced Nanotechnology 2019
EuroSciCon Conference on
Advanced Nanotechnology
I
n this paper, we have investigated the structural, electronic, magnetic and optical properties of cubic double perovskite Sr
2
CrZrO
6
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 Sr
2
CrZrO
6
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
Sr
2
CrZrO
6
a competent candidate for optoelectronic and spintronic applications in the future of Nanotechnology.
bbouadjemi@yahoo.frOptoelectronic, magnetic and structural
properties of double perovskite materials
affecting in Nanotechnology field
Bouabdellah Bouadjemi
1
, M Matougui
1
, M Houari
1
, S Haid
1
, T
Lantri
1
and S Bentata
1,2
1
Laboratory of Technology and of Solids Properties-University of Abdelhamid Ibn Badis, Algeria
2
University of Mascara, Algeria
Nano Res Appl 2019, Volume:5
DOI: 10.21767/2471-9838-C2-034