An ab-initio investigation: the physical properties of ScIr$_{2}$ superconductor

Using ab initio technique the physical properties of ScIr$_{2}$ superconductor have been investigated with $T_{c}$-1.03 K with a MgCu$_{2}$-type structure. We have carried out the plane- wave pseudopotential approach within the framework of the first-principles density functional theory (DFT) implemented within the CASTEP code. The calculated structural parameters confirm a good agreement with the experimental and other theoretical results. Using the Voigt-Reuss-Hill (VRH) averaging scheme the most important elastic properties including the bulk modulus B, shear modulus $G$, Young's modulus $E$ and Poisson's ratio $\nu$ of ScIr$_{2}$ are determined. At ambient condition, the values of Cauchy pressure and Pugh's ratio exhibit ductile nature of ScIr$_{2}$. The electronic and optical properties of ScIr$_{2}$ were investigated for the first time. The electronic band structure reveals metallic conductivity and the major contribution comes from Ir-$5d$ states. In the ultraviolet region the reflectivity is high up to 50 eV as evident from the reflectivity spectrum.