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

Abstract

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.

7 pages, 7 figures

References in corpus (5)

• Two Dimensional Atomic Crystals
• Micrometer-scale ballistic transport in encapsulated graphene at room temperature
• Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity
• Tight-binding approach to penta-graphene
• Mechanical Properties of Penta-Graphene Nanotubes

Cited by in corpus (3)

• Symmetry-protected metallic and topological phases in penta-materials
• Stacking-configuration-enriched essential properties in bilayer silicenes
• Topological bands in the PdSe${}_2$ pentagonal monolayer