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VOLUME 64 (1996) | ISSUE 8 | PAGE 521
Polarons in linear chains of fullerenes
Polaron states in linear chains of fullerenes are studied with the use of the generalized model of Su-Shrieffer-Heeger (SSH) for the intermolecular and intramolecular degrees of freedom. Electron charge distributions over the molecular surface and Jahn-Teller distortions of carbon atoms in Ceo are calculated self-consistently for linear Ceo polymer and CJJq polyanion chains. A polaron band narrowing is examined. It is shown that the polymerization of Ceo molecules under phase transitions may be caused by the cooperative Jahn-Teller effect. PACS: 75.10.Jm, 75.30.Ds