Fullerenes

Electronic structure of dimers based on C$_{58}$ fullerene isomers as structural elements of films on the Au surface

A. I. Murzashev, A. P. Jumanazarov

Mari State University, Yoshkar-Ola, Russia

Abstract: Within the framework of the Hubbard model, the energy spectra of the C$_s$ and C$_{3v}$ isomers of C$_{58}$ fullerene and dimers based on them are calculated. The obtained curves of the density of electronic states of these systems are compared with the experimental curves of the films, which were obtained by deposition of the C$_s$ and C$_{3v}$ isomers of C$_{58}$ fullerene on the (1,1,1) gold surface. A comparative analysis of the curves of the density of electronic states shows that in those sites through which a bond is formed between fullerenes, carbon is not in the $sp^2$, but in the $sp^3$ hybridized state.

Keywords: fullerene, dimer, energy spectrum, Hubbard model, Hubbard subband, density of electronic states.

Received: 14.06.2022
Revised: 14.06.2022
Accepted: 15.06.2022

DOI: 10.21883/FTT.2022.11.53346.404

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