First Principle Investigation Of Structural, Electronic, And Optical Properties Of Cadmium Selenide (Cdse)

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.