• 文献标题:   Scanning tunneling microscopy fingerprints of point defects in graphene: A theoretical prediction
  • 文献类型:   Article
  • 作  者:   AMARA H, LATIL S, MEUNIER V, LAMBIN P, CHARLIER JC
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Fac Univ Notre Dame Paix
  • 被引频次:   115
  • DOI:   10.1103/PhysRevB.76.115423
  • 出版年:   2007

▎ 摘  要

Scanning tunneling microscopy (STM) is one of the most appropriate techniques to investigate the atomic structure of carbon nanomaterials. However, the experimental identification of topological and nontopological modifications of the hexagonal network of sp(2) carbon nanostructures remains a great challenge. The goal of the present theoretical work is to predict the typical electronic features of a few defects that are likely to occur in sp(2) carbon nanostructures, such as atomic vacancy, divacancy, adatom, and Stone-Wales defect. The modifications induced by those defects in the electronic properties of the graphene sheet are investigated using first-principles calculations. In addition, computed constant-current STM images of these defects are calculated within a tight-binding approach in order to facilitate the interpretation of STM images of defected carbon nanostructures.