This article is cited in 2 papers

Surface physics, thin films

Energy spectrum and optical absorption of carbon nanosystems: isomers nos. 11 and 22 of C$_{84}$ fullerene

A. I. Murzashev

Mari State University, Ioshkar-Ola

Abstract: The energy spectra of isomers nos. 11 and 22 of C$_{84}$ fullerene is obtained with allowance for the intrasite Coulomb interaction. Based on the obtained spectra, the optical absorption spectra of these systems are simulated. The obtained optical absorption spectra qualitatively agree well with the available experimental data. In addition, the optical absorption spectra are also calculated on the base of the energy spectra of each of the systems calculated without considering the intrasite Coulomb interaction. The comparison of the results obtained in these different models strongly demonstrates the most important role of the Coulomb interaction in the formation of the electronic and optical properties of these systems.

Keywords: fullerene, intrasite Coulomb interaction, Hubbard model, strongly correlated state, energy spectrum, optical absorption spectrum.

Received: 22.10.2019
Revised: 22.10.2019
Accepted: 24.10.2019

DOI: 10.21883/FTT.2020.03.49017.613

 English version: Physics of the Solid State, 2020, 62:3, 555–565

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