We applied DFT to explore the structural, electronic and magnetic characteristics, as well as optical properties of a new series of full Heusler Co2HfZ (Z = Pb, Bi, As) CompoundsCalculations were conducted using the Quantum ESPRESSO software, employing various methods including the generalized gradient approximation (GGA-PBE), local spin d. approximations (LSDA), and GGA + U.Our research focused on the structural optimization of new compounds in different magnetic states for the Cu2MnAl and Hg2CuTi structures.Moreover, we performed calculations for various structural parameters, the band structure, and the total and partial spin moments of these alloys.Furthermore, we computed the different optical properties, in detail.Our calculations indicate that, the ferromagnetic phase in the Cu2MnAl structure is the most stable configuration for these alloys.The calculations using GGA and GGA + U methods have confirmed that Co2HfPb is a half-metallic alloy.Anal. of the band structure and d. of states has confirmed that Co2 HfAs alloys and exhibit ferromagnetic properties in GGA, LSDA, and GGA + U calculationsAddnl., the cobalt atoms significantly affect the magnetic behavior of these alloys, as demonstrated by their at. magnetic moments.Furthermore, the dielec. function and reflectivity coefficient curves reveal metallic behavior at very low energy levels.