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Electronic structure
Abstract:
Using the 1st principle calculations founded on Density Functional Theory (DFT), we examined the strain effect of band gap (BG) and electrical property (EP) of Siligraphene (g-SiC7) under biaxial strains (Compressive and tensile) using Generalized Gradient Approximation (GGA). We found that the BG of g-SiC7 was decreasing as function of the strain and we remarked that the electrical conductivity of g-SiC7 under biaxial strains become important of 6% for tension effect. For the compressive, we obtained an increase for all compressive applying, but we remarked the higher and lower values are successively -2% and -6%. Last not least, we deduced that it's possible to increase the electrical conductivity of g-SiC7. Also, this material can be used in solar cell applications and for photo-voltaic (PV) applications as a light donor material.
