Abstract
In present work, ternary thallium rare earth tellurides (TlXTe2 with X = Tb/Dy/Ho/Er) were studied for their electronic and optical properties along with magnetic character using density functional theory (DFT). In optical properties, dielectric function confirms metallic nature and validate the well established Penn formula for the Tl(Tb-Er)Te2 compounds. Reflectivity spectra show that reflectivity varies from 30 to 60 % at zero frequency while maximum reflectivity is found 70 % . Absorption spectra shows maximum absorption in ultraviolet energy regime. The intraband transitions have been observed in the infrared and visible region (close to 0 eV) due o half metallic character of the compounds. Electronic and magnetic properties studied for Tl(Tb-Er)Te2 compounds in the realm of density of state and band structure drawings at Fermi level, reveals that compounds are fully spin polarized and they show half metallic and ferromagnetic. Electronic and optical behavior could be utilized for their further applications in spintronics and in optoelectronic devices for visible and ultraviolet light.
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