Estudio Teórico computacional de las propiedades estructurales y electrónicas de Grafeno y Germaneno con el enfoque de la teoría del funcional de la densidad.

Abstract

The exceptional structural and electronic properties found in graphene have attracted plenty of attention for their wide range of applications in the next generation of nanoelectronics and nanophotonic devices working from GHz to THz frequencies. Thus, other materials with low dimensionality have also been proposed, such us, Silicene, fosforene, stanene and germanene because they show similar properties as graphene. In particular, germanene is a good candidate for industry applications based on silicon. Theoretical-computational calculations were used with ABINIT free software which uses (DFT) Density Functional Theory, we have explored the structural and electronic properties of graphene and germanene. Germanene bluckled is more stable than the planar configuration according to the structural optimization. Germanene has a 0.6 Å parameter buckled in comparison with planar graphene (buckled= 0 Å), both have similar electronic structures with bandgap equal to zero in K point as graphene. The findings show that Dirac cones in Γ point in both graphene and buckled germanene noting that the electronic properties of germanene are adjustable for a specific application.