Electronic structure of electron-doped fullerenes

Тип публикации: статья из журнала

Год издания: 2001

Аннотация: The electronic structures of C(60) fullerene complexes with two lithium atoms and nitrogen-substituted fullerenes are theoretically studied for the purpose of their further comparison and for studying the isomer effect in these compounds. The electronic level spectrum of these compounds contains an impurity state lying in the energy band gap, caused by the presence of two extra electrons. The lithium fullerene complexes have one more feature-strong level splitting-caused by the influence of positive lithium ions. The band gap width and average bond energy in the lithium fullerene complex are influenced by both the character of the polygon to which lithium atoms are coordinated and the distance between the doped atoms. A similar, although irregular, effect is also observed in nitrogen-substituted fullerenes.

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Издание

Журнал: Russian Journal of Inorganic Chemistry

Выпуск журнала: Vol. 46, Is. 3

Номера страниц: 403-408

ISSN журнала: 00360236

Издатель: Maik Nauka/Interperiodica/Springer

Авторы

  • Kuzubov A.A. (Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences; Krasnoyarsk Stt. Tech. University)
  • Avramov P.V. (Krasnoyarsk State University; Krasnoyarsk Stt. Tech. University; Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)
  • Zakharov A.A. (Krasnoyarsk Stt. Tech. University)
  • Ovchinnikov S.G. (Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences; Krasnoyarsk State University)
  • Varganov S.A. (Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)
  • Tomilin F.N. (Krasnoyarsk State University; Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)

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