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Electronic structure and optical absorption of C90 fullerene isomers
Russian version
DOI: 10.21883/EOS.2022.06.54717.2828-21
Murzashev A.I. 1, Kokurin M. Yu. 1, Zhumanazarov A.P.1, Paymerov S. K. 1
1Mari State University, Yoshkar-Ola, Russia
Email: nanotubes59@mail.ru, kokurinm@yandex.ru, allayar_0909@mail.ru, paymerov@mail.ru
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The energy spectra and optical absorption spectra of isomers Nos. 1, 6, 16 and 46 of fullerene C90 are calculated. Due to the comparison of theoretical and experimental optical absorption spectra, three previously synthesized isomers of C90 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 ?-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.
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