Structural, Electronic and Optical Properties of 6H-SiC and 3C-SiC with the Application in Solar Cell Devices

Abstract

6H-SiC and 3C-SiC structural, electronic and optical properties have been calculated by applying the principles of density functional theory based on the plane wave pseudo-potential. This method is implanted in Wien2k Software. Structural parameters are calculated at the level of Perdew Burke and Ernzerhof (PBE) parameterized generalized gradient approximation (GGA). The obtained results given in Table I were compared to the experimental data in relation with the lattice constant hexagonal ration c/a and the band gap value parameters of 6H-SiC and 3C-SiC, there was a very accurate concordance. The superior gap value and the good absorption coefficient drives us to realize a p+nn+ solar cell device using SILVACO Software. The 3C-SiC material resulted in a considerable performance for photovoltaic applications.