Investigation of Magneto-electronic Properties of Double Perovskite Ba2ZnReO6.

We report the structural, magneto-electronic, mechanical and thermo-physical properties of barium based Ba2ZnReO6 double perovskite using full potential linearized augmented plane wave method (FPLAPW). The structural characterization in all possible magnetic states and band profile display Fm-3m as stable phase group with half-metallic nature. The optimized lattice parameter of 8.080 Å and band gap of 2.49 eV show fair agreement with experimental results. The magnetic properties define the Re+6 (5d1, t2g1) orbital electron responsible for showing the ferromagnetic interaction together with half-metallic nature and integral spin magnetic moment of 1.0 􀈝B. [ABSTRACT FROM AUTHOR]