Relevance of multiband Jahn-Teller effects on the electron-phonon interaction inA3C60

Abstract

Assessing the effective relevance of multiband effects in fullerides is of fundamental importance in understanding the complex properties of these compounds. In this paper we investigate the role of the multiband effects on the electron-phonon (el-ph) properties of the ${t}_{1u}$ bands coupled with the Jahn-Teller intramolecular ${H}_{g}$ vibrational modes in ${\mathrm{C}}_{60}$ compounds. We show that, assuming perfect degeneracy of the electronic bands, vertex diagrams arising from the breakdown of the adiabatic hypothesis, are one order of magnitude smaller than the noncrossing terms usually retained in the Migdal-Eliashberg (ME) theory. These results permit to understand the robustness of the ME theory found by numerical calculations. The effects of the nondegeneracy of the ${t}_{1u}$ in realistic systems are also analyzed. Using a tight-binding model we show that the el-ph interaction is mainly dominated by intraband scattering within a single electronic band. Our results question the reliability of a degenerate band modeling and show the importance of these combined effects in the ${A}_{3}{\mathrm{C}}_{60}$ family.