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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 66: Low-Dimensional Systems: Molecular Conductors (joint session with CPP, HL, MA, O)

CPP 66.5: Vortrag

Donnerstag, 19. März 2015, 10:30–10:45, H 3010

Electronic structure and superconductivity of multi-layered organic charge transfer salts — •Harald O. Jeschke, Michaela Altmeyer, Daniel Guterding, and Roser Valenti — Institut für Theoretische Physik, Goethe-Universität Frankfurt, 60438 Frankfurt

We examine the electronic properties of polymorphs of (BEDT-TTF)₂Ag(CF₃)₄(TCE) (1,1,2-trichloroethane) within density functional theory (DFT). While a phase with low superconducting transition temperature T_c=2.6 K exhibits a κ packing motif, two high T_c phases are layered structures consisting of α′ and κ packed layers. We determine the electronic structures and discuss the influence of the insulating α′ layer on the conducting κ layer. In the κ-α₁′ dual-layered compound, we find that the stripes of high and low charge in the α′ layer correspond to a stripe pattern of hopping parameters in the κ layer. Based on the different underlying Hamiltonians, we study the superconducting properties and try to explain the differences in T_c.