Cone-like graphene nanostructures: Electronic and optical properties

Pablo Ulloa, Andrea Latgé, Luiz E. Oliveira, Monica Pacheco

Resultado de la investigación: Article

4 Citas (Scopus)

Resumen

A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.

Idioma originalEnglish
Páginas (desde-hasta)1-9
Número de páginas9
PublicaciónNanoscale Research Letters
Volumen8
N.º1
DOI
EstadoPublished - 14 nov 2013

Huella dactilar

Graphite
Electronic properties
Graphene
Cones
Nanostructures
cones
graphene
Optical properties
optical properties
Atoms
electronics
Electronic density of states
Charge distribution
Electronic states
Fermi level
Absorption spectra
atoms
Photons
Topology
Polarization

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Citar esto

Ulloa, Pablo ; Latgé, Andrea ; Oliveira, Luiz E. ; Pacheco, Monica. / Cone-like graphene nanostructures : Electronic and optical properties. En: Nanoscale Research Letters. 2013 ; Vol. 8, N.º 1. pp. 1-9.
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Cone-like graphene nanostructures : Electronic and optical properties. / Ulloa, Pablo; Latgé, Andrea; Oliveira, Luiz E.; Pacheco, Monica.

En: Nanoscale Research Letters, Vol. 8, N.º 1, 14.11.2013, p. 1-9.

Resultado de la investigación: Article

TY - JOUR

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T2 - Electronic and optical properties

AU - Ulloa, Pablo

AU - Latgé, Andrea

AU - Oliveira, Luiz E.

AU - Pacheco, Monica

PY - 2013/11/14

Y1 - 2013/11/14

N2 - A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.

AB - A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.

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