Abstract
The dynamical Jahn-Teller effect of positively charged fullerene C +60 is studied systematically within the Bogoliubov-de Gennes formalism, in the presence of Coulomb interactions with full respect of the icosahedral symmetry. With a hole in the electronic HOMO state, 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 .
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Wang, C., Yi, YS., Tian, L., Su, ZB. (2001). Symmetries of Jahn-Teller States in Charged Fullerenes. In: Kaplan, M.D., Zimmerman, G.O. (eds) Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules. NATO Science Series, vol 39. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0985-0_29
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DOI: https://doi.org/10.1007/978-94-010-0985-0_29
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