Superstructures in arrays of rotated graphene layers: Electronic structure calculations
We have applied first-principles total-energy electronic structure calculations in the local-density approximation to obtain the spatial charge density for a three-layer graphene array with the top surface rotated by 21.8Â°. It is possible to identify superstructures over the rotated layer, known as moirÃ© patterns, in this system. This kind of superstructure has been reported experimentally during scanning tunneling microscopy (STM) measurements. Within this framework, we show that the simulated STM images are strongly influenced by the relative rotation of the top layer with respect to the underlying graphite. In this particular case we relate the stacking sequence of atoms to the intensity maxima at different tip-surface distances. Â© 2008 The American Physical Society.
|Título según WOS:||Superstructures in arrays of rotated graphene layers: Electronic structure calculations|
|Título según SCOPUS:||Superstructures in arrays of rotated graphene layers: Electronic structure calculations|
|Título de la Revista:||PHYSICAL REVIEW B|
|Editorial:||American Physical Society|
|Fecha de publicación:||2008|