Abstract
The crystal structures and phonon frequencies of α- and β- phases of (BEDT-TTF) 2I 3 salts are computed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Experimental specific heat data of the β- phase can be reproduced only by introducing also low frequency intra-molecular vibrations. The strength of the electron-phonon ( e-ph) coupling is evaluated.
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