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 state 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".
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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