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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2022 Volume 64, Issue 6, Pages 750–756 (Mi ftt11042)

This article is cited in 1 paper

Fullerenes

Energy spectrum and optical absorption spectrum of exohedral fullerene Ñ$_{50}$Cl$_{10}$ within the Hubbard model

A. V. Silant'ev

Mari State University, Yoshkar-Ola, Russia

Abstract: Energy spectra of fullerene Ñ$_{50}$ and exohedral fullerene Ñ$_{50}$Cl$_{10}$ with the D$_{5\mathrm{h}}$ symmetry groups have been obtained within the Hubbard model and static fluctuation approximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of molecules Ñ$_{50}$ and Ñ$_{50}$Cl$_{10}$ have been determined. On the basis of the energy spectrum of exohedral fullerene Ñ$_{50}$Cl$_{10}$ is given an interpretation of experimentally observed optical absorption bands molecule Ñ$_{50}$Cl$_{10}$.

Keywords: Hubbard model, Green's functions, energy spectrum, fullerenes, nanosystems, fullerene Ñ$_{50}$, exohedral fullerene Ñ$_{50}$Cl$_{10}$.

Received: 17.02.2022
Revised: 17.02.2022
Accepted: 01.03.2022

DOI: 10.21883/FTT.2022.06.52403.290



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