Author/Authors :
Brillante، نويسنده , , Aldo and Della Valle، نويسنده , , Raffaele Guido and Visentini، نويسنده , , Giovanni and Girlando، نويسنده , , Alberto، نويسنده ,
Abstract :
The crystallographic structure and lattice phonon frequencies of neutral bis(ethylendithio)tetrathiafulvalene (BEDT-TTF) as a function of temperature have been computed within a quasi-harmonic lattice dynamics framework. The results are compared with the known crystal structure and with the phonon frequencies obtained from polarized Raman spectra on single crystals.
