Abstract

Due to their versatile properties, vacancy-ordered double perovskites offer a wide range of potential uses due to their versatile properties. We have thoroughly examined the physical characteristics of vacancy-ordered Rb2TcCl6 in its cubic phase by employing the spin-polarized computations. The ground state energy and optimum structural parameters are obtained in order to assess the structural stability, which is further validated using the tolerance factor and formation energy values. The ductile character of Rb2TcCl6 is revealed by a comprehensive evaluation of mechanical properties. Vickers hardness factor suggests that Rb2TcCl6 can withstand against pressure-induced disturbance more strongly. A direct bandgap for spin-up is measured up to 2.33 eV, while for spin-dn it is 2.02 eV. According to the magnetic moments of 2.69 μB, Rb2TcCl6 is an attractive material for spintronic devices. A number of optical parameters are determined. For optoelectronic applications, Rb2TcCl6 is an excellent choice due to its strong polarization in the visible and ultraviolet regions, as shown by its optical characteristics.