E⊗eE\otimes e Jahn-Teller Effect in C703−C_{70}^{3-} Systems

preprint1997arXivOpen access

Abstract

The electron-phonon interaction in C70C_{70} anions is studied by making use of a lattice relaxation approach. We find there exists a Jahn-Teller effect in C703−C_{70}^{3-} system, due to an extra electron being doped to the double degenerate E1′′E_{1}^{''} state. As a result of this effect, the original D5hD_{5h} symmetry of the ground state becomes unstable, which causes distortion of the lattice configuration. The only symmetry maintained in the final state of the relaxation is the x−yx-y plane reflection symmetry. We further find that besides the Jahn-Teller active A1′,A2′,E2′A_{1}^{'}, A_{2}^{'}, E_{2}^{'} modes, the non-Jahn-Teller active E1′E_{1}^{'} vibrations also contribute to the relaxation process, which come from the nonlinear effect and are two or three orders smaller than those of the Jahn-Teller active modes. We suggest that the C703−C_{70}^{3-} molecule is a promising Berry Phase candidate in this effective E⊗eE \otimes e Jahn-Teller system.

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