First-Principles Electronic Structure of Solid Picene - Condensed Matter > SuperconductivityReportar como inadecuado

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Abstract: To explore the electronic structure of the first aromatic superconductor,potassium-doped solid picene which has been recently discovered by Mitsuhashiet al with the transition temperatures $T c=7 - 20$ K, we have obtained afirst-principles electronic structure of solid picene as a first step towardthe elucidation of the mechanism of the superconductivity. The undoped crystalis found to have four conduction bands, which are characterized in terms of themaximally localized Wannier orbitals. We have revealed how the band structurereflects the stacked arrangement of molecular orbitals for both undoped anddoped K$ 3$picene cases, where the bands are not rigid. The Fermi surface forK$ 3$picene is a curious composite of a warped two-dimensional surface and athree-dimensional one.

Autor: Taichi Kosugi, Takashi Miyake, Shoji Ishibashi, Ryotaro Arita, Hideo Aoki


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