This article is cited in 1 paper

Nanophotonics

Electronic structure and optical absorption of C$_{90}$ fullerene isomers

A. I. Murzashev, M. Yu. Kokurin, A. P. Jumanazarov, S. K. Pa'merov

Mari State University, 424000 Yoshkar-Ola, Russia

Abstract: The energy spectra and optical absorption spectra of isomers Nos. 1, 6, 16 and 46 of fullerene C$_{90}$ are calculated. Due to the comparison of theoretical and experimental optical absorption spectra, three previously synthesized isomers of C$_{90}$ fullerene have been identified. The calculations are carried out within the framework of the developed approach, taking into account the intra-node Coulomb interaction of $\pi$-electrons, which plays a crucial role in the formation of the electronic and optical properties of fullerenes.

Keywords: fullerene, intra-node Coulomb interaction, Hubbard model, Coulomb integral, energy spectrum, selection rules, optical absorption spectrum.

Received: 22.10.2021
Revised: 25.12.2021
Accepted: 26.12.2021

DOI: 10.21883/OS.2022.06.52643.2828-21

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