Dynamical Jahn-Teller Effect and Berry Phase in Positively Charged Fullerene I. Basic Considerations

Abstract

We study the Jahn-Teller effect of positive fullerene ions ${}^2$C${}_{60}^{+}$ and ${}^1$C${}_{60}^{2+}$. The aim is to discover if this case, in analogy with the negative ion, possesses a Berry phase or not, and what are the consequences on dynamical Jahn-Teller quantization. Working in the linear and spherical approximation, we find no Berry phase in ${}^1$C${}_{60}^{2+}$, and presence/absence of Berry phase for coupling of one $L=2$ hole to an $L=4$/$L=2$ vibration. We study in particular the special equal-coupling case ($g_2=g_4$), which is reduced to the motion of a particle on a 5-dimensional sphere. In the icosahedral molecule, the final outcome assesses the presence/absence of a Berry phase of $\pi$ for the $h_u$ hole coupled to $G_g$/$H_h$ vibrations. Some qualitative consequences on ground-state symmetry, low-lying excitations, and electron emission from C${}_{60}$ are spelled out.

31 pages (RevTeX), 3 Postscript figures (uuencoded)

References in corpus (6)

• Electron--Vibron Interactions and Berry Phases in Charged Buckminsterfullerene: Part I
• Electron--Vibron Interactions in Charged Buckminsterfullerene: Pair Energies and Spectra (Part II)
• Anomalous low-energy electron attachment in C_{60}
• The Phase Diagram of Correlated Electrons in a Lattice of Berry Molecules
• Enhanced Electron Pairing in a Lattice of Berry Phase Molecules
• Phase Diagram of a Model of Correlated Hopping of Electrons in a Lattice of Berry Molecules

Cited by in corpus (11)

• Electron-vibration coupling constants in positively charged fullerene
• Surprises in the Orbital Magnetic Moment and g-Factor of the Dynamic Jahn-Teller Ion C_{60}^-
• Berry Phase and Ground State Symmetry in H x h Dynamical Jahn-Teller Systems
• Hund's rule Magnetism in C60 ions?
• The role of the Berry Phase in Dynamical Jahn-Teller Systems
• Vibronic Ground-state Degeneracies and the Berry Phase: A Continuous Symmetry Perspective
• Continuous vibronic symmetries in Jahn-Teller models
• On the alleged nonlocal and topological nature of the molecular Aharonov-Bohm effect
• Low-energy excitations of a linearly Jahn-Teller coupled orbital quintet
• Berry phase of adiabatic electronic configurations in fullerene anions
• First principles study of the vibronic coupling in positively charged C${}_{60}^{+}$