Optical Properties of Armchair Single Wall Boron Nitride Nanotubes

Abstract

The optical properties of Armchair single wall Boron Nitride Nanotubes (ASWBNNTs) was studied using density functional theory (DFT). In this paper, our calculations focused on the reflectance, absorbance and transmittance. Also, the optical coefficients such as refractive index, extinction coefficient (k), absorption coefficient (α), real (εr) and imaginary (εi) dielectric constant and optical conductivity were. The optical constants are very important parameters because they describe the optical behavior of the materials. The (4,4), (5,5), and (6,6) ASWBNNTs were studied with thicknesses (d= 80.71849, 70.42897, and 64.43785) and the range of wavelength (365.01-1013.98) nm. Additionally, the energy gap was unit calculated for all ASWBNTs and it has direct band gap. The values of optical energy gap are (4.11, 4.4, 4.6) eV. We found out that the (6,6) ASBNNT is the best optical properties. Also, the best average reflection, transmittance, and absorption values for (4,4), (5,5) and (6,6) respectively. These tubes are very useful in various optical applications, such as cover for solar cell, optical window, lenses and green house because these tubes have a transmittance which is greater than other properties like absorption which is small.