• 文献标题:   Fifth-Nearest-Neighbor Tight-Binding Description of Electronic Structure of Graphene
  • 文献类型:   Article
  • 作  者:   YOU JH, JU WW, LI EQ, PU TS, ZHAO YY, WANG H
  • 作者关键词:   graphene, electronic structure, tightbinding approximation
  • 出版物名称:   COMMUNICATIONS IN THEORETICAL PHYSICS
  • ISSN:   0253-6102
  • 通讯作者地址:   Henan Univ Sci Technol
  • 被引频次:   1
  • DOI:   10.1088/0253-6102/53/6/36
  • 出版年:   2010

▎ 摘  要

An analytic expression for pi and pi* electronic structure of graphene is derived within the tight-binding approximation. Including up to fifth-nearest neighbors, the tight-binding description of electronic dispersion quite accurately reproduces the first-principle calculation result over the entire Brillouin zone. The maximal deviation of the fifth-nearest tight-binding result from the first-principle result is only 6 meV for pi band, and 25 meV for pi* band. This 25 meV deviation is only one-tenth of the maximal deviation of the third-nearest tight-binding result. It is more important that the fitted parameters exponentially approach to zero as the distance between interacting atoms increases.