Optical properties of carbon nanotubes with Haeckelite structure under a transverse electric field: Density functional theory. Computational Condensed Matter

Optical properties of Haeckelite structure as well as pristine carbon nanotubes were studied. Density functional theory was used to analyze optical absorption, reflectivity, dielectric function, conductivity, refractive index and loss function under transverse electric field. Our results show significant variations between pristine and Haeckelite structure nanotubes. For instance, we found that introducing transverse electric field has direct impact on the static values of dielectric function real part. Furthermore, the static refractive indices record a significant increase upon introducing R57 and H567 Haeckelite structures to pristine nanotube at any nature of the incident light. Additionally, all real part of the optical conductivity spectra are red shifted regardless the incident light nature and the defect types introduced to pristine nanotube. Besides, the peak intensity of the imaginary part of the optical conductivity significantly decreases upon applying transverse electric field regardless the incident light nature.