Abstract:
In the framework of the Hubbard model in the static fluctuation approximation, the energy spectrum of fullerene С70 with allowance for different lengths of the bonds between nonequivalent nodes is calculated. On the basis of the calculated energy spectrum, the optical absorption spectrum in the ultraviolet and visible region is simulated. A good qualitative agreement between the calculated and measured absorption spectra and between the measured and theoretical values of the gap width between the highest occupied and the lowest unoccupied molecular orbital is found.
Citation:
B. V. Lobanov, A. I. Murzashev, “Electron and optical properties of fullerene С70 within the conception of a strongly correlated state”, Fizika Tverdogo Tela, 59:2 (2017), 409–413; Phys. Solid State, 59:2 (2017), 423–427
\Bibitem{LobMur17}
\by B.~V.~Lobanov, A.~I.~Murzashev
\paper Electron and optical properties of fullerene С$_{70}$ within the conception of a strongly correlated state
\jour Fizika Tverdogo Tela
\yr 2017
\vol 59
\issue 2
\pages 409--413
\mathnet{http://mi.mathnet.ru/ftt9696}
\crossref{https://doi.org/10.21883/FTT.2017.02.44071.474}
\elib{https://elibrary.ru/item.asp?id=29006131}
\transl
\jour Phys. Solid State
\yr 2017
\vol 59
\issue 2
\pages 423--427
\crossref{https://doi.org/10.1134/S1063783417020159}
Linking options:
https://www.mathnet.ru/eng/ftt9696
https://www.mathnet.ru/eng/ftt/v59/i2/p409
This publication is cited in the following 8 articles:
A. Bautista Hernández, Wilfredo Ibarra Hernandez, F. Severiano, E. García Hernandez, E. Chigo Anota, M. Salazar Villanueva, “Physical-chemical properties of (Zn )@C60 and (Zn )@C70 endohedral metallofullerenes (m = 1-5): A DFT approach”, Surfaces and Interfaces, 23 (2021), 101012
A. V. Silant'ev, “Energy spectrum and optical absorption spectrum of fullerene С$_{28}$ within the Hubbard model”, Phys. Solid State, 62:11 (2020), 2208–2216
A. I. Murzashev, “Energy spectrum and optical absorption of carbon nanosystems: isomers nos. 11 and 22 of C$_{84}$ fullerene”, Phys. Solid State, 62:3 (2020), 555–565
N. G. Bobenko, B. V. Lobanov, N. V. Melnikova, A. N. Ponomarev, “Optical Absorption Spectrum of Small Graphene Fragments with Topological Defects”, Russ Phys J, 62:12 (2020), 2255
A. V. Silant'ev, “The Energy Spectrum and the Optical Absorption Spectrum of S36 Fullerene Within the Hubbard Model”, Russ Phys J, 62:6 (2019), 925
B. V. Lobanov, A. I. Murzashev, N. V. Melnikova, “Optical Absorption Spectrum of Metal–Nitride Complexes of S80 Fullerene as Strongly Correlated Systems”, Russ Phys J, 61:12 (2019), 2288
A. I. Murzashev, I. A. Rumyantsev, “Energy Spectrum and Optical Absorption of Isomer No. 11 of S84 Fullerene of S2 Symmetry Within the Hubbard Model”, Russ Phys J, 61:1 (2018), 41
A. V. Silant'ev, “Energy Spectrum and Optical Absorption Spectrum of Fullerene C70 Within the Hubbard Model”, Russ Phys J, 60:6 (2017), 978