First-principles study of the doping effects in bilayer graphene

Details First-principles study of the doping effects in bilayer graphene First-principles study of the doping effects in bilayer graphene

Mar 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010njph...12c3046m&link_type=abstract

New Journal of Physics, Volume 12, Issue 3, pp. 033046 (2010).

Physics

1

Scientific paper

We used first-principles calculations to study the doping effects in bilayer graphene, focusing on Au substitute doping in the upper layer of graphene. We found that Au doping in the upper layer maintains the lattice structure of the lower graphene layer. Our study on binding energy shows that the Au-doped bilayer structure is stable with Au atom tightly confined in a small region between the upper and lower layers. Charge density analysis indicates that charge is transferred from the Au donor to the carbon atoms in the lower layer, increasing the carrier density in the lower graphene.

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