Electron transition energies of single-walled carbon nanotubes: Hartree - Fock's CNDOL approaches for describing excitations and related properties

Ana L. Montero, María E. Fuentes, Eduardo Menéndez, Walter Orellana, Carlos Bunge, Luis A. Montero, José M García De La Vega

Resultado de la investigación: Contribución a los tipos de informe/libroContribución a la conferencia

Resumen

Optical properties of two kinds of zig-zag (13,0) and (9,0) single walled carbon nanotubes (SWCNT) are modeled by an approximate Hartree-Fock's (HF) Hamiltonian under the restrictions of the Complete Neglect of Differential Overlap considering the L azimuthal quantum numbers of basis orbitals (CNDOL). Here is shown that the procedure can bring models of electron energy transitions and exciton features through a configuration interaction of singly excited determinants (CIS). It allows the direct understanding of properties related with the total electronic wave function of the system. We show that the evolution of excited states for each SWCNT is different when the nanotube grows in length. It is discussed by taking into account electron - electron interactions. (13,0) SWCNT does not appear to decrease the lowest energy excited states when the length increases, in contrast with (9,0) SWCNT, which shows more favored conditions for photo-excitations when grows to infinite.

Idioma originalInglés
Título de la publicación alojadaNanotechnology 2010
Páginas560-563
Número de páginas4
Volumen2
EstadoPublicada - 2010
EventoNanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010 - Anaheim, CA, Estados Unidos
Duración: 21 jun 201024 jun 2010

Otros

OtrosNanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010
PaísEstados Unidos
CiudadAnaheim, CA
Período21/06/1024/06/10

Áreas temáticas de ASJC Scopus

  • Hardware y arquitectura
  • Ingeniería eléctrica y electrónica

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  • Citar esto

    Montero, A. L., Fuentes, M. E., Menéndez, E., Orellana, W., Bunge, C., Montero, L. A., & De La Vega, J. M. G. (2010). Electron transition energies of single-walled carbon nanotubes: Hartree - Fock's CNDOL approaches for describing excitations and related properties. En Nanotechnology 2010 (Vol. 2, pp. 560-563)