This article is cited in 1 paper

Spectroscopy of condensed matter

Electronic structure and optical properties of compounds of C$_{90}$ fullerene isomers with chlorine

A. I. Murzashev^a, N. V. Mel'nikova^b, A. P. Jumanazarov^a, M. Yu. Kokurin^a, S. K. Paĭmerov<sup>a

a</sup> Mari State University, Yoshkar-Ola, Russia
^b National Research Tomsk State University, 634050 Tomsk, Russia

Abstract: Within the framework of Hubbard’s model using an approximation of static fluctuations, the electronic structure and optical properties of compounds of C$_{90}$ fullerene isomers with chlorine atoms are investigated. The energy spectrum of $\pi$-electron subsystem is shown to be divided into several unbound electronic subsystems when the number of the attached chlorine atoms becomes greater than (or about) 30. Each of subsystems behaves like a separate system in this case. The energy spectra and optical absorption spectra of ten different chlorine compounds C$_{90}$@Cl$_n$ have been calculated. Their optical properties are predicted.

Keywords: fullerene, fullerene chlorides, the Hubbard model, static fluctuation approximation, energy spectrum, optical absorption spectrum.

Received: 14.03.2023
Revised: 04.04.2023
Accepted: 05.04.2023

DOI: 10.21883/OS.2023.05.55722.4702-22

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