Abstract
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.
Original language | English |
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Title of host publication | Nanotechnology 2010 |
Pages | 560-563 |
Number of pages | 4 |
Volume | 2 |
Publication status | Published - 2010 |
Event | Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010 - Anaheim, CA, United States Duration: 21 Jun 2010 → 24 Jun 2010 |
Other
Other | Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010 |
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Country/Territory | United States |
City | Anaheim, CA |
Period | 21/06/10 → 24/06/10 |
Keywords
- CNDOL
- Electronic wave functions
- Excited states of nanoscopic systems
- Single walled carbon nanotubes
ASJC Scopus subject areas
- Hardware and Architecture
- Electrical and Electronic Engineering