Energy Spectrum and Optical Absorption of Isomer No. 11 of С{sub 84} Fullerene of С{sub 2} Symmetry Within the Hubbard Model

Energy Spectrum and Optical Absorption of Isomer No. 11 of С{sub 84} Fullerene of С{sub 2} Symmetry Within the Hubbard Model

Energy spectrum of isomer No. 11 of С{sub 84} fullerene of С{sub 2} symmetry is calculated within the Hubbard model. Based on the obtained energy spectrum, the optical absorption spectrum is modeled taking into account not only allowed, but also forbidden symmetry transitions. Good qualitative agree...

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Veröffentlicht in:Russian physics journal 2018-05, Vol.61 (1)
Hauptverfasser: Murzashev, A. I., Rumyantsev, I. A.
Format: Artikel
Sprache:eng
Schlagworte:
ABSORPTION SPECTRA
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
COULOMB ENERGY
ELECTRON-ELECTRON INTERACTIONS
ELECTRONS
ENERGY SPECTRA
EXPERIMENTAL DATA
FLUCTUATIONS
FULLERENES
HUBBARD MODEL
MOLECULAR ORBITAL METHOD
SELECTION RULES
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Zusammenfassung:Energy spectrum of isomer No. 11 of С{sub 84} fullerene of С{sub 2} symmetry is calculated within the Hubbard model. Based on the obtained energy spectrum, the optical absorption spectrum is modeled taking into account not only allowed, but also forbidden symmetry transitions. Good qualitative agreement with the experimental data is obtained. This suggests that when studying fullerenes, the intra-site Coulomb interaction of electrons must be taken into account.
ISSN:1064-8887
1573-9228