Electron states and Fermi surfaces in the organic superconductor κ-(BEDT-TTF)2Cu[N(CN)2]Br

Abstract
The electronic structure and the Fermi surfaces of the organic superconductor κ-(BEDT-TTF)2 Cu[N(CN)2 ]Br are elucidated by first-principles calculations. The results show very narrow bands, high state density at the Fermi level, and a small band effective mass of 0.28m0 for the closed hole orbit. The topological features of the Fermi surfaces with multiple sheets are more complicated than that of κ-(BEDT-TTF)2 Cu(NCS)2 . Fermi electron distribution on the central C=C double bond reveals the nonequivalency of the two central C atoms.