Scanning tunneling microscopy fingerprints of point defects in graphene: A theoretical prediction

H. Amara, S. Latil, V. Meunier, Ph. Lambin, J.-C. Charlier
2007 Physical Review B  
Scanning tunneling microscopy ͑STM͒ 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,
more » ... omic 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.
doi:10.1103/physrevb.76.115423 fatcat:hdumhvnf45cghagjp4pyll7umi