First Principle Study of Electronic and Optical Properties of Full-Fluorinated SnC Nanosheets

We have investigated the electronic structures and optical properties of pristine and full-fluorinated SnC nanosheets using the full potential linearized augmented plane wave [FP-LAPW] technique based on the first principles density-functional theory (DFT). The random phase approximation (RPA), the reflectivity, absorption coefficient, energy-loss function, and refraction index of the nanosheets for parallel and perpendicular electric field polarizations are well described via using the calculated dielectric function. The electronic structure calculations of the study have confirmed that the nanosheets are nonmagnetic semiconductors. The main results of the investigation illustrate that the optical properties of full-fluorinated SnC nanosheet are different with the pristine SnC nanosheet. The results of the comparison represent that the values of static refractive index and static dielectric constant of full-fluorinated SnC nanosheets are greater than pristine SnC nanosheets (SnCNSs) in both polarization directions. In order to ensure the accuracy of our work, we have also calculated the energy gap and optical constants of SnC bulk in zinc-blende structure and compared our results with previous works.