Endohedral fullerene Sm@C80: electronic structure, optical properties
Murzashev A. I. 1, Kokurin M. Yu. 1, Pakhmutov D. A.1, Paymerov S. K. 1
1Mari State University, Yoshkar-Ola, Russia
Email: nanotubes59@mail.ru, kokurinm@yandex.ru, paymerov@mail.ru

PDF
Taking into account the strong intra-node Coulomb interaction (~10 eV), the energy spectrum of endohedral metallofullerene Sm@C80 is calculated. Based on the theoretical energy spectrum, the optical absorption spectrum of this compound is obtained. Comparison of the theoretical curves of the optical absorption spectrum obtained at different values of charge transfer from the embedded Sm atom with the experimental one with the corresponding experimental curve did not allow to establish the value of charge transfer. But despite this, the qualitative coincidence of the experimental curve with the theoretical ones indicates the adequacy of our model proposed for studying the electronic structure of endohedral fullerenes. Keywords: fullerene, intra-site Coulomb interaction, Hubbard model, energy spectrum, optical absorption spectrum.
  1. A.V. Eletskiy. UFN 170, 2, 113 (2000). (in Russian)
  2. A.I. Murzashev, T.E. Nazarova, FMM 115, 7, 675 (2014)
  3. V.P. Bubnov, I.Ye. Kareev, B.V. Lobanov, A.I. Murzashev, V.M. Nekrasov, FTT 58, 8, 1639 (2016). (in Russian)
  4. G.I. Mironov, A.I. Murzashev, FTT 53, 11, 2273 (2011). (in Russian)
  5. I.Ye. Kareev, V.P. Bubnov, A.I. Kotov, B.V. Lobanov, A.I. Murzashev, I.A. Rumyantsev. FTT 59, 1, 200 (2017). (in Russian)
  6. Hua Yang, Zhimin Wang, Hongxiao Jin, Bo Hong, Ziyang Liu, Christine M. Beavers, Marilyn M. Olmstead, Alan L. Balch. Inorg. Chem. 52, 1275 (2013)
  7. P.W. Fowler, D.E. Manolopoulos. An Atlas of Fullerenes. Oxford University Press, Oxford (1995). 416 p
  8. D.A. Bovchar, E.G. Galpern. DAN SSSR 209, 3, 3 (610). (in Russian)
  9. P.R. Wallace. Phys. Rev. 71, 622 (1947)
  10. T.O. Wehling, E. Sasi ovglu, C. Friedrich, A.I. Lichtenstein, M.I. Katsnelson, S. Blugel. Phys. Rev. Lett. 106, 23, 236805 (2011)
  11. J. Hubbard. Proc. Roy. Soc. 63, 237 (1963)
  12. B.V. Lobanov, A.I. Murzashev. FTT, 55, 797 (2013). (in Russian)
  13. B.V. Lobanov, A.I. Murzashev. FTT, 57, 409 (2017). (in Russian)
  14. A.I. Murzashev, T.E. Nazarova, ZhETF 146, 5, 1026 (2014). (in Russian)
  15. A.I. Murzashev. FTT 62, 3, 484 (2020). (in Russian)
  16. A.I. Murzashev, M.Yu. Kokurin, S.K. Paimerov. Optika i spektroskopiya 128, 6, 1238 (2020). (in Russian)
  17. A.I. Murzashev, E.O. Shadrin, ZhETF 145, 6, 1061 (2014). (in Russian)
  18. G.I. Mironov. FTT 49, 3, 527 (2007). (in Russian)
  19. G.I. Mironov. FTT 48, 7, 1299 (2006). (in Russian)
  20. A.I. Murzashev, E.O. Shadrin, FTT 54, 12, 2359 (2012). (in Russian)
  21. T. Sagawa. J. Phys. Soc. Jpn. 21, 49 (1966)
  22. L.D. Landau, E.M. Lifshits. Kvantovaya mekhanika. Nerelyativistskaya teoriya. Nauka, M., (1989). 767 p. (in Russian)
  23. K. Kubo. J. Phys. Soc. Jpn. 28, 6, 1402 (1970)
  24. K. Kubo. J. Phys. Soc. Jpn. 31, 1, 30 (1971)
Publisher:

Ioffe Institute

Institute Officers:

Director: Sergei V. Ivanov

Contact us:

26 Polytekhnicheskaya, Saint Petersburg 194021, Russian Federation
Fax: +7 (812) 297 1017
Phone: +7 (812) 297 2245
E-mail: post@mail.ioffe.ru