Abstract
The closeness of low-lying T1u and T1g levels of C −60 could enable their mixing under an odd parity vibration of (T1 u + T1 g ⊗ (hg + τ1 u)type. In addition, the two levels are susceptible to Jahn-Teller interaction due to five-fold degenerate hg vibrations. This complex problem of (T1u+T1g)⊗(hg+τ1u) vibronic interaction is transformed to a form similar to T2g ⊗ (εg + τ2g) vibronic problem of octahedral symmetry. The problem is analysed in an infinite coupling model and compared with the experimental spectroscopic results for the C −60 radical. The resulting parameters are used to calculate the pair-binding energy and superconducting transition temperature in C n−60 fullerides. Vibronic mixing with the T1g level is found to be responsible for maximising the pair-binding energy at the doping level n=3. It is also found to be an important source of Tc enhancement.
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Rai, R. (T1u+T1g)⊗(hg+τ1u)vibronic interaction and superconductivity in C n−60 fullerides. Z. Phys. B - Condensed Matter 99, 327–332 (1995). https://doi.org/10.1007/s002570050044
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DOI: https://doi.org/10.1007/s002570050044