Self-consistent treatment for dynamical Jahn-Teller effect in C-60(+): In comparison with C-60(-)

Within the Bogoliubov-de Gennes formalism, the positively charged fullerene C-60(+) is Studied systematically in the presence of Coulomb interactions. The study on the static Jahn-Teller effect shows that D-5d is the most stable configuration for C-60(+). The dynamical Jahn-Teller effect of C-60(+) due to the quantum tunneling between the six equivalent D-5d states is also studied which shows a higher potential barrier between the equivalent minima than that of C-60(-). Moreover, we calculate the phonon spectrum and show that, for C-60(+), the hole in the HOMO state couples strongly to the two A(g) modes and the eight H-g modes, but not to the G(g) modes.