Investigation of Ba2SmOsO6 and Ba2InOsO6 double perovskite oxide for spintronic and linear optoelectronic applications using DFT and DFT+U methods

Spintronics is an emerging field that uses electronic spins for a variety of technical motivations. In this work, we used density functional theory (DFT) to investigate the ferromagnetic properties of $B{a}_{2}MOs{O}_6$ double-perovskite materials. We determined that the ferromagnetic indicate had the lowest level of energy in our recherche for the most ground-like configuration. We conducted stability tests and found that $B{a}_{2}MOs{O}_6$ exhibits thermodynamiclly, dynamically, and mechanically stability. They demonstrated the half-metallic ferromagnetic character of $B{a}_{2}SmOs{O}_6$ through their band structure and density of states. These double-perovskites show potential for use in spintronic applications, as evidenced by their good magnetic moment values and spin polarisation factor. According to the studies, both materials have the ability to transmit at low energy, which makes them viable options for optoelectronic uses. Additionally, the discovery of discrete peaks for reflectivity and absorption signifies potential uses in flexible optical systems and sensors. Novel photonic material development is made possible by the refractive index’s dispersion properties.