We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory calculations for single-layer penta-graphene, showing a very good global agreement. We apply this parameterization to penta-graphene nanoribbons, achieving an adequate description of quantum-size effects. Additionally, a symmetry-based analysis of the energy band structure and the optical transitions involved in the absorption spectra is introduced, allowing for the interpretation of the optoelectronic features of these systems.
@article{arxiv.1712.07544,
title = {Tight-binding model for opto-electronic properties of penta-graphene nanostructures},
author = {Sergio Bravo and J. D. Correa and Leonor Chico and M. Pacheco},
journal= {arXiv preprint arXiv:1712.07544},
year = {2020}
}