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Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated π-electron systems

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Abstract

Isomerically pure endohedral metallofullerenes Gd@C82(C2v), Ho@C82(C 2v ), and their monoanions have been synthesized and separated. The optical absorption spectra of solutions of obtained compounds in o-dichlorobenzene have been studied. Within the Hubbard model, the energy spectrum of isomer of C 2v symmetry (no. 9) of fullerene С82 has been calculated. Based on the obtained spectrum, optical absorption spectra of endohedral metallofullerenes Gd@C82 and Ho@C82 and their monoanions have been simulated. The calculated optical absorption spectra have been compared with experimental ones; it has been found that qualitative agreement between them is observed.

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Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432, Russia

    V. P. Bubnov, I. E. Kareev & V. M. Nekrasov

  2. Mari State University, pl. Lenina 1, Yoshkar Ola, 424001, Russia

    B. V. Lobanov & A. I. Murzashev

  3. Moscow State University, Moscow, 119899, Russia

    V. M. Nekrasov

Authors
  1. V. P. Bubnov
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  2. I. E. Kareev
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  3. B. V. Lobanov
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  4. A. I. Murzashev
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  5. V. M. Nekrasov
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Correspondence to V. P. Bubnov.

Additional information

Original Russian Text © V.P. Bubnov, I.E. Kareev, B.V. Lobanov, A.I. Murzashev, V.M. Nekrasov, 2016, published in Fizika Tverdogo Tela, 2016, Vol. 58, No. 8, pp. 1639–1645.

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Bubnov, V.P., Kareev, I.E., Lobanov, B.V. et al. Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated π-electron systems. Phys. Solid State 58, 1698–1704 (2016). https://doi.org/10.1134/S1063783416080072

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  • DOI: https://doi.org/10.1134/S1063783416080072

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