Jahn-Teller effect and on-site interaction for C₆₀^n-

O. Gunnarsson
Max-Planck-Institut für Festkörperforschung, Stuttgart

The lowering of the total energy due to the electron-vibration interaction is calculated for C60^n- molecules and the electron-vibration contribution to the on-site interaction is obtained. It is found that C60^n- is in the intermediate- to strong-coupling limit, and that the vibration contribution to the on-site interaction is of the order -0.1 to -0.2 eV for n=1 and n=3 and of the order +0.3 eV for n=2 and n=4.

Phys. Rev. B 51, 3493 (1995).

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