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A computational study of electronic structures of graphene allotropes with electrical bias

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@ Atlanta University Center Robert W. Woodruff Library

Nathaniel, James Edward, II

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ThesisM.S.PhysicsGraphene is a two-dimensional system consisting of a single planar layer of carbon atoms with hexagonal arrangement. Various approaches have been proposed to control its physical and electronic properties. When appropriately cut, rolled, and bonded, graphene generates single-walled carbon nanotubes of varying diameters. Graphite intercalation compounds are materials formed by inserting molecular layers of compounds between stacked sheets of graphene. We have studied the physical and electronic responses of two graphene layers intercalated with FeCl3 and of metallic, semi-metallic and semiconducting nanotubes when normally biased using electric fields of various magnitudes. By means of first-principles density functional calculations, our results indicate that the band structures of the aforementioned graphene structures are modified upon application of a bias voltage. In the case of nanotubes, electric biasing allows tuning of the band gap leading to a transition from semiconducting to metallic state, or vice versa. In the case of the FeCl3 intercalant compounds, electric biasing results in shifting of the Dirac point.Electronic theses & dissertations collection for Atlanta University & Clark Atlanta University
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Text
Created Date:
2011 12 01
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Atlanta University Center Robert W. Woodruff Library

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Digital Library of Georgia