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Edge state in graphene ribbons: Nanometer size effect and edge shape dependence

✍ Scribed by Nakada, Kyoko; Fujita, Mitsutaka; Dresselhaus, Gene; Dresselhaus, Mildred


Book ID
115441625
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
184 KB
Volume
54
Category
Article
ISSN
1098-0121

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✦ Synopsis


Finite graphite systems having a zigzag edge exhibit a special edge state. The corresponding energy bands are almost flat at the Fermi level and thereby give a sharp peak in the density of states. The charge density in the edge state is strongly localized on the zigzag edge sites. No such localized state appears in graphite systems having an armchair edge. By utilizing the graphene ribbon model, we discuss the effect of the system size and edge shape on the special edge state. By varying the width of the graphene ribbons, we find that the nanometer size effect is crucial for determining the relative importance of the edge state. We also have extended the graphene ribbon to have edges of a general shape, which is defined as a mixture of zigzag and armchair sites.

Examining the relative importance of the edge state for graphene ribbons with general edges, we find that a non-negligible edge state survives even in graphene ribbons with less developed zigzag edges. We demonstrate that such an edge shape with three or four zigzag sites per sequence is sufficient to show an edge state, when the system size is on a nanometer scale. The special characteristics of the edge state play a large role in determining the density of states near the Fermi level for graphite networks on a nanometer scale. Ν“S0163-1829Ν‘96Ν’11048-1Ν”


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## Abstract The size‐dependence on the electronic and transport properties of the molecular devices of the edge‐modified graphene nanoribbon (GNR) slices is investigated using density‐functional theory and Green's function theory. Two edge‐modifying functional group pairs are considered. Energy gap