BEDT-TTF organic superconductors: the entangled role of phonons
Abstract
We calculate the lattice phonons and the electron-phonon coupling of the organic superconductor κ-(BEDT-TTF)2 I3, reproducing all available experimental data connected to phonon dynamics. Low-frequency intra-molecular vibrations are strongly mixed to lattice phonons. Both acoustic and optical phonons are appreciably coupled to electrons through the modulation of the hopping integrals (e-LP coupling). By comparing the results relevant to superconducting κ- and β-(BEDT-TTF)2 I3, we show that electron-phonon coupling is fundamental to the pairing mechanism. Both e-LP and electron-molecular vibration (e-MV) coupling are essential to reproduce the critical temperatures. The e-LP coupling is stronger, but e-MV is instrumental to increase the average phonon frequency.
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