• 文献标题:   Phonon dispersions and vibrational properties of monolayer, bilayer, and trilayer graphene: Density-functional perturbation theory
  • 文献类型:   Article
  • 作  者:   YAN JA, RUAN WY, CHOU MY
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Georgia Inst Technol
  • 被引频次:   133
  • DOI:   10.1103/PhysRevB.77.125401
  • 出版年:   2008

▎ 摘  要

The phonon dispersions of monolayer and few-layer graphene (AB bilayer, and ABA and ABC trilayers) are investigated using the density-functional perturbation theory. 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 symmetries and exhibit different sensitivities to either Raman or infrared measurements (or both). The splitting is found to be 5 cm(-1) for bilayer and 2-5 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.