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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2022 Volume 64, Issue 2, Pages 279–289 (Mi ftt10974)

Fullerenes

Energy spectrum and optical absorption spectra of endohedral fullerenes Lu$_3$N@C$_{80}$ and Y$_3$N@C$_{80}$ within the Hubbard model

A. V. Silant'ev

Mari State University, Yoshkar-Ola, Russia

Abstract: Anticommutator Green's functions and energy spectra of fullerene C$_{80}$, endohedral fullerenes Lu$_3$N@C$_{80}$ and Y$_3$N@C$_{80}$ with the $I_h$ symmetry groups have been obtained in an analytical form 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 C$_{80}$, Lu$_3$N@C$_{80}$ and Y$_3$N@C$_{80}$ have been determined. On the basis of these spectra, an interpretation of experimentally observed optical absorption bands endohedral fullerenes Lu$_3$N@C$_{80}$ and Y$_3$N@C$_{80}$.

Keywords: Hubbard model, Green's functions, energy spectrum, nanosystems, fullerene C$_{80}$, endohedral fullerene Lu$_3$N@C$_{80}$, endohedral fullerene Y$_3$N@C$_{80}$.

Received: 27.09.2021
Revised: 27.09.2021
Accepted: 12.10.2021

DOI: 10.21883/FTT.2022.02.51942.213



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© Steklov Math. Inst. of RAS, 2025