OPTICAL PROPERTIES OF BLUE PHOSPHORENE CONSIDERING MANY-BODY EFFECTS

Juan Jose Nava (2023, [Tesis de maestría])

"The electronic band structure of blue phosphorene was obtained by using Density Functional Theory within the Generalized Gradient Approximation. It is observed, based on its band structure, that blue phosphorene shows a semiconducting nature, with an indirect band gap. The energy corrections to the bands were calculated in a specific set of k points within the irreducible Brillouin zone by employing the GW approximation and the complete quasiparticle band structure was determined by using maximally-localized Wannier functions. The excitonic spectrum is obtained and compared with both the independent-particle and GW optical response."

DFT Primeros principios BSE GW Función dieléctrica CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA FÍSICA ÓPTICA ÓPTICA