Journal
PHYSICAL REVIEW B
Volume 79, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.115443
Keywords
ab initio calculations; conduction bands; electron-phonon interactions; graphene; monolayers; multilayers; valence bands
Funding
- Department of Energy [DEFG02-97ER45632]
- National Science Foundation [DMR-08-20382]
- National Energy Research Scientific Computing Center (NERSC)
- U. S. Department of Energy [DE-AC03-76SF00098]
- National Science Foundation Teragrid resources
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [820382] Funding Source: National Science Foundation
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We present a first-principles study of the electron-phonon (e-ph) interactions and their contributions to the linewidths for the optical-phonon modes at Gamma and K in one-layer to three-layer graphene. It is found that, due to the interlayer coupling and the stacking geometry, the high-frequency optical-phonon modes in few-layer graphene couple with different valence and conduction bands, giving rise to different e-ph interaction strengths for these modes. Some of the multilayer optical modes derived from the Gamma-E-2g mode of monolayer graphene exhibit slightly higher frequencies and much reduced linewidths. In addition, the linewidths of K-A(1)(') related modes in multilayers depend on the stacking pattern and decrease with increasing layer numbers.
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