Tight-binding model for opto-electronic properties of penta-graphene nanostructures

Share this
Date
2018Author
Bravo S.
Correa J.
Chico L.
Pacheco M.
Citación
Metadata
Show full item recordAbstract
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. © 2018, The Author(s).
Collections
- Indexados Scopus [1893]