• 文献标题:   Valence force model for phonons in graphene and carbon nanotubes
  • 文献类型:   Article
  • 作  者:   PEREBEINOS V, TERSOFF J
  • 作者关键词:   ab initio calculation, carbon nanotube, phonon spectra, valence band
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   TJ Watson Res Ctr
  • 被引频次:   43
  • DOI:   10.1103/PhysRevB.79.241409
  • 出版年:   2009

▎ 摘  要

Many calculations require a simple classical model for the interactions between sp(2)-bonded carbon atoms, as in graphene or carbon nanotubes. Here we present a valence force model to describe these interactions. The calculated phonon spectrum of graphene and the nanotube breathing-mode energy agree well with experimental measurements and with ab initio calculations. The model does not assume an underlying lattice, so it can also be directly applied to distorted structures. The characteristics and limitations of the model are discussed.