First-principles study of optical aspects of Penta-graphene and T- Carbon nanostructures

Abstract

Abstract In this study, after the introduction of two new carbon allotropes nanostructures named Penta-graphene and T- Carbon, based on the first-principles calculations using the Density Functional Theory (DFT), and using Wien2k computing codes, the optical properties of these nanostructures such as the joint density of states, the real and imaginary part of the complex dielectric function, absorption, and reflectivity spectrum under special conditions such as applying the hydrostatic pressure, and buckling effects, are studied and changing the behavior of the optical aspects of these nanostructures are analyzed. It can be concluded that these nanostructures are suitable for use in designing optoelectronic devices, especially as sensors under the proposed conditions.