Abstract:
This study presents a first-principles investigation of the structural, electronic, and optical
properties of CdSe (cadmium selenide) using density functional theory (DFT) calculations. The
structural parameters were carried out for the GGA-PBE approximation, band structure and
density of states was employing by GGA-PBE, and optical characteristics of cadmium selenide
(CdSe) are analyzed to understand its fundamental properties at the atomic level. The GGA-PBE
peak for the absorption was discovered at around 3.5 eV. The results provide valuable insights
into the electronic and optical behavior of CdSe, which can guide the design of optoelectronic
devices, in the fabrication of solar cells and materials engineering strategies.
