Aplicación de la teoría del funcional de la densidad dependiente del tiempo para el estudio de las características plasmónicas de nano cintas de grafeno.

Abstract

This research was about the study of Graphene nanoribbon plasmonic character from 3p, 3p+1, and 3p+2 group, it was researched with the Time-dependent density functional theory (TD DFT) and the random phase approximation (RPA). This character was simulated due to the incidence of a radiation beam with energy under 20 eV with a momentum which under 3.252 x 10 -3 Bohr -1 was simulated in two conditions. Intrinsic, which analyzed the effect caused by the increase of temperature from 300K to 900K; in extrinsic conditions, the doping influence was studied; this effect was analyzed modifying the energy value of Fermi level. The energy loss function analysis (ELOSS) was based on the fluctuations of induced charge density, it is to say that Plasmon resonance were taken into account as well as the corresponding dispersions occurring in the energy-momentum region when the radiation beam had incidence. At energies higher than 2.5 eV, two analog Plasmon structures at monolayer graphene structures at 3eV and 13 e V respectively. At energies lower than 2eV, it was possible to observe the generation of two structures known as interband and intraband, their intensity and activation was up to the temperature value and doping applied in each one of the cases. It was concluded that the detection of genuine plasmons took place only in the extrinsic case.