Phonon Anharmonicities in Graphite and Graphene.

Journal Article · Wed Oct 24 04:00:00 EDT 2007 · Physical Review Letters, 99(176802):1-4

DOI:https://doi.org/10.1103/PhysRevLett.99.176802· OSTI ID:921224

Bonini, Nicola; Lazzeri, Michele; Marzari, Nicola N; Mauri, Francesco

The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. 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 E2g 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 E1u mode. In graphene, the phonon anharmonic lifetimes and decay channels of the A01 mode at K dominate over E2g at T and couple strongly with acoustic phonons, highlighting how ballistic transport in carbon-based interconnects requires careful engineering of phonon decays and thermalization.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 921224
• Journal Information: Physical Review Letters, 99(176802):1-4, Journal Name: Physical Review Letters, 99(176802):1-4 Vol. 99; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
ACOUSTICS
DECAY
Environmental Molecular Sciences Laboratory
GRAPHITE
PHONONS
THERMALIZATION
TRANSPORT