Half metallic ferromagnetism in Ba2XIrO6 (X = Y, La, Sc) double perovskites for energy storage applications

The miniaturization of electronic devices with precise control of their electro-magnetic and thermoelectric at-tributes provides promising platform to realize the pragmatic features of quantum computing devices. The stable, non-toxic and spin-polarized features of double perovskites make them attractive for spintronic applications. In current study, contribution of 5d electrons of iridium to regulate magnetic properties for Ba2XIrO6 (X = Y, La, Sc) is elaborated theoretical using WIEN2k code. The calculated formation energy (-2.68,-2.44 and-2.08 eV) verify thermodynamic stability and investigation of band structure and DOS exhibit half metallic ferromagnetic character that is comprehend in means of exchange energies and exchange constants. The present computations specify that fundamental hybridization procedure, crystal field and exchange energies generate ferromagnetism because of electron-spin. Lastly, the electrical conductivity, thermal conductivity, power factor, Seebeck coef-ficient, magnetic susceptibility and figure of merit are calculated to recognize potential of studied compositions for thermoelectric device applications.