Abstract
The role of electron-lattice (or intermolecular) phonons, e-LP, coupling in the mechanism of organic superconductivity (SC) has been always rather elusive. One of the difficulties is the characterization of the lattice phonons (LP) themselves, which are numerous and change from one SC salt to the other. We have decided to attack the problem through the Quasi Harmonic Lattice Dynamics (QHLD) method, focusing attention on BEDT-TTF2I3 salts. These salts are the ideal benchmark for our approach, since they present more than one SC crystalline phases. We have first developed an empirical atom-atom potential able to reproduce the crystal structures and LP dynamics of neutral BEDT-TTF and non-SC a-BEDT-TTF2I3 [1]. We have then calculated the structure, phonon dynamics, and Eliashberg spectral function for the SC ß-BEDT-TTF2I3 phase [2].
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References
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Girlando, A., Masino, M., Della Valle, R.G. (2002). Electron-Intermolecular Phonon Coupling in κ-Phase BEDT-TTF Organic Superconductors. In: Graja, A., Bułka, B.R., Kajzar, F. (eds) Molecular Low Dimensional and Nanostructured Materials for Advanced Applications. NATO Science Series, vol 59. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0349-0_25
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DOI: https://doi.org/10.1007/978-94-010-0349-0_25
Publisher Name: Springer, Dordrecht
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