Theoretical Raman fingerprints of $\alpha$-, $\beta$-, and $\gamma$-graphyne

Abstract

The novel graphene allotropes $\alpha$-, $\beta$-, and $\gamma$-graphyne derive from graphene by insertion of acetylenic groups. The three graphynes are the only members of the graphyne family with the same hexagonal symmetry as graphene itself, which has as a consequence similarity in their electronic and vibrational properties. Here, we study the electronic band structure, phonon dispersion, and Raman spectra of these graphynes within an \textit{ab-initio}-based non-orthogonal tight-binding model. In particular, the predicted Raman spectra exhibit a few intense resonant Raman lines, which can be used for identification of the three graphynes by their Raman spectra for future applications in nanoelectronics.

References in corpus (2)

• Electric Field Effect in Atomically Thin Carbon Films
• Graphyne: Hexagonal network of carbon with versatile Dirac cones

Cited by in corpus (9)

• Scalable synthesis and characterization of multilayer $\gamma$-graphyne, new carbon crystals with a small direct bandgap
• Topology-dependent conjugation effects in graphdiyne molecular fragments
• Raman and IR spectra of graphdiyne nanoribbons
• Rigid Unit Modes in $sp$-$s{p}^2$ Hybridized Carbon Systems: Origin of Negative Thermal Expansion
• A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks
• Lattice Thermal Conductivity of Sun-Graphyne from Reverse Nonequilibrium Molecular Dynamics Simulations
• Cyclo-Graphyne: A Highly Porous and Semimetallic 2D Carbon Allotrope with Dirac Cones
• Vibrational properties of graphdiynes as 2D carbon materials beyond graphene
• Hexa-Graphyne: A Transparent and Semimetallic 2D Carbon Allotrope with Distinct Optical Properties