DFT Study of Armchair Silicon Carbide Nanoribbons (w=۳)

The optical spectra of armchair silicon carbide nanoribbons (ASiCNRs) with edges passivated by hydrogen were calculated exploiting density functional theory (DFT). It was found that the dielectric function of the simulated nanoribbon has anisotropic behavior due to the asymmetric crystal lattice. Compared to isotropic behavior, anisotropic means different behavior in all directions. The first peak of the imaginary part of the dielectric function (۲.۵۷ eV) suggests that the first optical band-gap of ASiCNRs is ۲.۵۷ eV. Besides, the z component of the static refractive index of ASiCNRs is ۱.۳۴. Our results show that the first optical absorption’s peak for the z polarization happens at ۲.۵۷ eV, which is in agreement with the imaginary part of the dielectric function. The first and second peaks of the optical extinction are located at ۲.۵۷ eV and ۳.۴۲ eV as well.

کلیدواژه ها:

ASiCNRs ، Dielectric Function ، Optical absorption ، Optical extinction