Fundamental Investigations of Fermi Surface and Optoelectronic Properties of Pyrochlore Oxide Superconductor (KOs2O6): GGA+U+SOC and DFT
We employed first-principle calculations techniques to explore the optoelectronic properties of pyrochlore oxide superconductor named KOs2O6. Due to the existence of localized f and d-states in the electronic configuration of Osmium element, the spin orbit coupling and GGA+U approach were considered in computation in order to describe correctly the d-d coupling. KOs2O6 is a metallic and exhibit a large electrical conductivity as found from Fermi surface. The calculated optoelectronic properties have explored the real and the imaginary parts of the dielectric constant along with the other related optical properties like the refractive index, energy loss function and the absorption along with the reflectivity.