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Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms

Описание

Тип публикации: статья из журнала

Год издания: 2001

Идентификатор DOI: 10.1134/1.1402242

Аннотация: The electronic structures of all the possible isomers of endohedral and exohedral C(60) fullerene complexes with two lithium atoms are theoretically investigated. It is found that the electronic structures of these compounds are characterized by an impurity filled-level state determining the band gap. The location of the impurity sПоказать полностьюtate and, correspondingly, the band gap of the exohedral fullerene complexes depend on the coordination mode and the distance between the alkali metal ions. A similar dependence is observed for the total energy of the exohedral fullerene complex under investigation. (C) 2001 MAIK "Nauka/ Interperiodica".

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Издание

Журнал: Physics of the Solid State

Выпуск журнала: Vol. 43, Is. 6

Номера страниц: 1794-1799

ISSN журнала: 10637834

Персоны

  • Kuzubov A.A. (Kirenskii Inst. of Physics,Siberian Division,Russian Academy of Sciences)
  • Avramov P.V. (Kirenskii Inst. of Physics,Siberian Division,Russian Academy of Sciences)
  • Ovchinnikov S.G. (Kirenskii Inst. of Physics,Siberian Division,Russian Academy of Sciences)
  • Varganov S.A. (Kirenskii Inst. of Physics,Siberian Division,Russian Academy of Sciences)
  • Tomilin F.N. (Inst. of Chem. and Chem. Technology,Siberian Division,Russian Academy of Sciences)

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