Vol. 5, Issue 2, Part A (2023)

The present research focuses on the electronic and optical properties of Tm-based thallium ditelluride (TlTmTe₂). Spin-polarized electronic structure calculations were performed using the PBE-GGA exchange-correlation functional. The electronic band structure reveals half-metallic nature of TlTmTe₂, characterized by a predominance of spin-down states at the Fermi level. Optical properties were also investigated using the same exchange correlation functional. The calculated values of the static dielectric function and refractive index were found consistent with the Penn model, thereby validate the optical results. The pronounced ultraviolet (UV) absorption behavior of TlTmTe₂ highlights its potential as a potential material for UV-sensitive applications such as photovoltaic devices, photodetectors, and UV shielding technologies.