Comparative Computational Study of CdSe Cubic And Hexagonal Structures

Structural, electronic and optical properties of 2D CdSe (cadmium selenide) semiconductor cubic and hex-agonal structure is determined by the First Principle calculation using PBE and GGA. Obtained the band gap GGA, PBE from Density Of States (DOS), Projected Density Of States (PDOS) and band structure of primitive and crystallized CdSe with both phases. The absorption coefficient, optical conductivity, optical constant, reflectivity, real and imaginary pat of dielectric function and energy loss function is analyzed by optical data using siesta. Optical properties are investigated to find out dielectric constant. Optical proper-ties and excitonic binding energy is determined and are compared to the both structures of CdSe, which shows good relation between them. Existence of direct band gap for both structures is evident from the computational analysis.