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E e Jahn-Teller Effect in C703- Systems

Lin Tian, Ya-Sha Yi, Chui-Lin Wang, Zhao-Bin Su

cond-mat.mtrl-sciarXiv:cond-mat/9705073

Abstract

The electron-phonon interaction in C70 anions is studied by making use of a lattice relaxation approach. We find there exists a Jahn-Teller effect in C703- system, due to an extra electron being doped to the double degenerate E1'' state. As a result of this effect, the original D5h 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-y plane reflection symmetry. We further find that besides the Jahn-Teller active A1', A2', E2' modes, the non-Jahn-Teller active E1' 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- molecule is a promising Berry Phase candidate in this effective E e Jahn-Teller system.

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