Ab initio studies of low dimensional organic systems

Harald Jeschke

Goethe-Universität Frankfurt, Institut für Theoretische Physik, Frankfurt/Main, Germany

We investigate the electronic structure of the possible spin liquid system EtMe3Sb[Pd(dmit)2]2 (Et=C2H5, Me=CH3). The β''-(ET)2SF5CHFCF2SO3 charge transfer salt is interesting due to a transition from metal to insulator as function of pressure; the small degree of dimerization in the β'' phase leads to a complex frustrated square lattice with many inequivalent hopping pathways. The (BEDT-TTF)2Ag(CF3)4(TCE) has recently been shown to crystallize in a structure in which α'-phase and κ-phase BEDT-TTF layers alternate. Possibly, the increased two-dimensionality of this compound enhances its superconducting properties.

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