Enviar artigo por via de e-mail Optical Absorption Spectrum of Metal–Nitride Complexes of С80 Fullerene as Strongly Correlated Systems
- Autores: Lobanov B.V.1,2, Murzashev A.I.1,2, Melnikova N.V.2
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Afiliações:
- Mari State University
- National Research Tomsk State University
- Edição: Volume 61, Nº 12 (2019)
- Páginas: 2288-2292
- Seção: Article
- URL: https://bakhtiniada.ru/1064-8887/article/view/241378
- DOI: https://doi.org/10.1007/s11182-019-01669-0
- ID: 241378
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Resumo
Within the framework of Hubbard’s model using an approximation of static fluctuations, the energy spectrum of the π-electron subsystem of an icosahedral C80 fullerene isomer is obtained. Based on the energy spectrum, an optical absorption spectrum of metal-nitride complexes M3N@C80 (M = Gd, Tm, Dy) is simulated. It is quite consistent with the respective experimental spectrum.
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Sobre autores
B. Lobanov
Mari State University; National Research Tomsk State University
Autor responsável pela correspondência
Email: lbv_marsu@mail.ru
Rússia, Yoshkar-Ola; Tomsk
A. Murzashev
Mari State University; National Research Tomsk State University
Email: lbv_marsu@mail.ru
Rússia, Yoshkar-Ola; Tomsk
N. Melnikova
National Research Tomsk State University
Email: lbv_marsu@mail.ru
Rússia, Tomsk
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