Estudio de nano cintas de siliceno dopadas con hidrógeno para determinar las respuestas ópticas y plasmónicas en la frecuencia de Terahertz a UV-VIS.

Abstract

The present work investigates the electronic and optic properties of periodic arrays of silicene nanorribbons using the Time Dependent Density Functional Theory (TDDFT) and the random phase approximation (RPA). The intrinsic conditions (without doping) and extrinsic conditions (with electronic doping and temperature) are analyzed at lower energies at 20 eV. The effect of the electronic doping is studied though a positive or negative displacement of the Fermi level, which allows emulating the injection or ejection of load carriers. The considered temperature levels range from 300K to 900K. The silicene nanorribbons under study belong to the 3p+2 family, denoting as 5ASiNR. The results show that the silicene nanorribbons with armchair chirality have semiconducting properties, with a band gap of 80 meV approximately. Regarding the optical properties of this nano-system, 5ASiNR is characterized by two plasmonic structures analog to interband plasmons identified in the two-dimensional silicene. These are at lower energies at 4.5 eV.In the region of lower energies at 1 eV, two new plasmonic structures similar to the detected in graphene nanorribbons called plasmon confinement (interband) and surface plasmon intraband). The latter shows excellent sensitivity to doping or temperature. The findings indicate that silicene nanorribbons arrays can be implemented in the design of ultracompact nano-devices with a wide range of applications.