Abstract:
The energy spectra of isomers nos. 11 and 22 of C84 fullerene is obtained with allowance for the intrasite Coulomb interaction. Based on the obtained spectra, the optical absorption spectra of these systems are simulated. The obtained optical absorption spectra qualitatively agree well with the available experimental data. In addition, the optical absorption spectra are also calculated on the base of the energy spectra of each of the systems calculated without considering the intrasite Coulomb interaction. The comparison of the results obtained in these different models strongly demonstrates the most important role of the Coulomb interaction in the formation of the electronic and optical properties of these systems.
This study was supported in the framework of state task of the Ministry of Education and Science of the Russian Federation "Study of fullerenes and carbon nanotubes as strongly correlated π-electron systems" no. 3.5976.2017/8.9.
Citation:
A. I. Murzashev, “Energy spectrum and optical absorption of carbon nanosystems: isomers nos. 11 and 22 of C84 fullerene”, Fizika Tverdogo Tela, 62:3 (2020), 484–493; Phys. Solid State, 62:3 (2020), 555–565
\Bibitem{Mur20}
\by A.~I.~Murzashev
\paper Energy spectrum and optical absorption of carbon nanosystems: isomers nos. 11 and 22 of C$_{84}$ fullerene
\jour Fizika Tverdogo Tela
\yr 2020
\vol 62
\issue 3
\pages 484--493
\mathnet{http://mi.mathnet.ru/ftt8481}
\crossref{https://doi.org/10.21883/FTT.2020.03.49017.613}
\elib{https://elibrary.ru/item.asp?id=42776735}
\transl
\jour Phys. Solid State
\yr 2020
\vol 62
\issue 3
\pages 555--565
\crossref{https://doi.org/10.1134/S1063783420030154}
Linking options:
https://www.mathnet.ru/eng/ftt8481
https://www.mathnet.ru/eng/ftt/v62/i3/p484
This publication is cited in the following 2 articles:
A. I Murzashev, A. P Zhumanazarov, “ENERGETIChESKIY SPEKTR I OPTIChESKOE POGLOShchENIE SOEDINENIY FULLERENOV C50 I C70 S ATOMAMI GALOGENOV Cl I Br”, Žurnal èksperimentalʹnoj i teoretičeskoj fiziki, 165:1 (2024), 89
A. I. Murzashev, A. P. Jumanazarov, M. Yu. Kokurin, “Energy spectrum and optical absorption of endohedral complexes Er2C2@C90 based on isomers no. 21 and no. 44”, Optics and Spectroscopy, 129:12 (2021), 1279–1286
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