Phonon Anharmonicities in Graphite and Graphene

2007/08/31 by Nicola Bonini, Michele Lazzeri, Nicola Marzari +1 · 8 citations
Materials Science · Physics and Astronomy · #Anharmonicity #Atomic physics #Carbon Nanotubes in Composites #Condensed matter physics #Graphene #Graphene research and applications #Graphite #Laser #Laser linewidth #Materials science #Nanotechnology #Phonon #Physics #Quantum mechanics #Raman spectroscopy #Thermal properties of materials #Thermalisation #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevlett.99.176802

published as Phys. Rev. Lett. 99, 176802 (2007) · 5 pages, 4 figures; typos corrected and reference added

openalex publication_date 2007/10/24 · arxiv created 2007/10/25 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06

Abstract

We determine from first principles the finite-temperature properties-linewidths, line shifts, and lifetimes-of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the Raman-active E(2g) mode is found to decrease with temperature; such anomalous behavior is driven entirely by electron-phonon interactions, and does not appear in the nearly degenerate infrared-active E(1u) mode. In graphene, the phonon anharmonic lifetimes and decay channels of the A(1)' mode at K dominate over E(2g) at Gamma and couple strongly with acoustic phonons, highlighting how ballistic transport in carbon-based interconnects requires careful engineering of phonon decays and thermalization.

Citations

• Neutron Spectroscopy of Superconductors
• Electron Transport and Hot Phonons in Carbon Nanotubes
• Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
• Negative Differential Conductance and Hot Phonons in Suspended Nanotube Molecular Wires
• Phonon Dispersion and Lifetimes inMgB2

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