TY - JOUR
T1 - Scanning tunneling microscopy fingerprints of point defects in graphene
T2 - A theoretical prediction
AU - Amara, Hakim
AU - Latil, Sylvain
AU - Meunier, Vincent
AU - Lambin, Philippe
AU - Charlier, Jean-Christophe.
PY - 2007
Y1 - 2007
N2 - 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 sp2 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 sp2 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.
AB - 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 sp2 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 sp2 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.
U2 - 10.1103/PhysRevB.76.115423
DO - 10.1103/PhysRevB.76.115423
M3 - Article
SN - 1098-0121
VL - 76
SP - 115423-1-10
JO - Physical Review. B, Condensed Matter and Materials Physics
JF - Physical Review. B, Condensed Matter and Materials Physics
IS - 11
ER -