Phonon dispersions and vibrational properties of monolayer, bilayer, and trilayer graphene

Abstract

The phonon dispersions of monolayer and few-layer graphene (AB bilayer, ABA and ABC trilayers) are investigated using the density-functional perturbation theory (DFPT). Compared with the monolayer, the optical phonon $E_{2g}$ mode at $\Gamma$ splits into two and three doubly degenerate branches for bilayer and trilayer graphene, respectively, due to the weak interlayer coupling. These modes are of various symmetry and exhibit different sensitivity to either Raman or infrared (IR) measurements (or both). The splitting is found to be 5 cm${}^{-1}$ for bilayer and 2 to 5 cm${}^{-1}$ for trilayer graphene. The interlayer coupling is estimated to be about 2 cm${}^{-1}$. We found that the highest optical modes at K move up by about 12 cm${}^{-1}$ for bilayer and 18 cm${}^{-1}$ for trilayer relative to monolayer graphene. The atomic displacements of these optical eigenmodes are analyzed.

8 pages, 10 figures

References in corpus (9)

• The Raman Fingerprint of Graphene
• Ultrathin epitaxial graphite: 2D electron gas properties and a route toward graphene-based nanoelectronics
• Electric Field Effect Tuning of Electron-Phonon Coupling in Graphene
• Epitaxial graphene
• Non-adiabatic Kohn-anomaly in a doped graphene monolayer
• Optical Phonons in Carbon Nanotubes: Kohn Anomalies, Peierls Distortions and Dynamic Effects
• The phonon dispersion of graphite by inelastic x-ray scattering
• Electron Transport and Hot Phonons in Carbon Nanotubes
• The structural properties of the multi-layer graphene/4H-SiC(000-1) system as determined by Surface X-ray Diffraction

Cited by in corpus (36)

• The electronic properties of bilayer graphene
• Electron-phonon heat transfer in monolayer and bilayer graphene
• Observation of out-of-plane vibrations in few-layer graphene
• Electron-Phonon Interactions in Graphene, Bilayer Graphene, and Graphite
• Chlorine Adsorption on Graphene: Chlorographene
• Comparative study of phonon spectrum and thermal expansion of graphene, silicene, germanene and blue phosphorene
• Stacking Order in Graphite Films Controlled by Van der Waals Technology
• Excitation Energy Dependent Raman Signatures of ABA- and ABC-stacked Few-layer Graphene
• Hybrid neural network potential for multilayer graphene
• Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles
• Signatures of phonon and defect-assisted tunneling in planar metal-hexagonal boron nitride-graphene junctions
• Stacking-dependent shear modes in trilayer graphene
• First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene
• Electron-Phonon Interactions for Optical Phonon Modes in Few-Layer Graphene
• Two-dimensional analysis of the double-resonant 2D Raman mode in bilayer graphene
• Microscopic pairing mechanism, order parameter, and disorder sensitivity in moiré superlattices: Applications to twisted double-bilayer graphene
• Strong electron-phonon coupling in the sigma band of graphene
• Double-resonant LA phonon scattering in defective graphene and carbon nanotubes
• Imaging Stacking Order in Few-Layer Graphene
• Polaronic signatures and spectral properties of graphene antidot lattices
• Valley-polarization in biased bilayer graphene using circularly polarized light
• Two-phonon Raman bands of bilayer graphene: revisited
• Thermodynamic properties of graphene bilayers
• Low-frequency phonons of few-layer graphene within a tight-binding model
• Phonons in MoSe2/WSe2 van der Waals heterobilayer
• Electron-phonon scattering and in-plane electric conductivity in twisted bilayer graphene
• Phonon dispersion in two-dimensional solids from atomic probability distributions
• Electron phonon coupling in the topological heavy fermion model of twisted bilayer graphene
• Direction-Controlled Chemical Doping for Reversible G-Phonon Mixing in ABC Trilayer Graphene
• Uniaxial strain-induced Kohn anomaly and electron-phonon coupling in acoustic phonons of graphene
• Nuclear quantum effects in graphene bilayers
• Strongly coupled Yukawa trilayer liquid: Structure and dynamics
• Optical Phonon Anomaly in Bilayer Graphene with Ultrahigh Carrier Densities
• Thermal Transport in Graphene and Graphene Multilayers
• Phonon-assisted carrier cooling in h-BN/graphene van der Waals heterostructures
• Stretch-induced tunability of electrical transport properties of three-dimensional graphene-based foam structures