Abstract
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 C60 are calculated self-consistently for linear C60 polymer and C 60 − polyanion chains. A polaron band narrowing is examined. It is shown that the polymerization of C60 molecules in phase transitions may be caused by the cooperative Jahn-Teller effect.
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