• 文献标题:   Gradual changes in electronic properties from graphene to graphite: first-principles calculations
  • 文献类型:   Article
  • 作  者:   ALZAHRANI AZ, SRIVASTAVA GP
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Univ Exeter
  • 被引频次:   9
  • DOI:   10.1088/0953-8984/21/49/495503
  • 出版年:   2009

▎ 摘  要

Calculations based on the first-principles pseudopotential plane-wave method and density functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite.