First-Principles Electronic Structure of Solid Picene
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概要
- 論文の詳細を見る
To explore the electronic structure of the first aromatic superconductor, potassium-doped solid picene which has been recently discovered by Mitsuhashi et al. with the transition temperatures $T_{\text{c}}=7--20$ K, we have obtained a first-principles electronic structure of solid picene as a first step toward the elucidation of the mechanism of the superconductivity. The undoped crystal is found to have four conduction bands, which are characterized in terms of the maximally localized Wannier orbitals. We have revealed how the band structure reflects the stacked arrangement of molecular orbitals for both undoped and doped (K3picene) cases, where the bands are not rigid. The Fermi surface for K3picene is a curious composite of a warped two-dimensional surface and a three-dimensional one.
- Physical Society of Japanの論文
- 2009-11-15
著者
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Arita Ryotaro
Department Of Applied Physics University Of Tokyo:crest Jst
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Ishibashi Shoji
Research Institute For Computational Sciences (rics) National Institute Of Advanced Industrial Scien
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Aoki Hideo
Department Of Biochemical Engineering Graduate School Of Science And Technology Yamagata University
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Arita Ryotaro
Department of Applied Physics, University of Tokyo, Bunkyo, Tokyo 113-8656
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Kosugi Taichi
Department of Physics, University of Tokyo, Bunkyo, Tokyo 113-0033
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Miyake Takashi
Research Institute for Computational Sciences (RICS), AIST, Tsukuba, Ibaraki 305-8568
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Ishibashi Shoji
Research Institute for Computational Sciences (RICS), AIST, Tsukuba, Ibaraki 305-8568
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Aoki Hideo
Department of Physics, University of Tokyo, Bunkyo, Tokyo 113-0033
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Kosugi Taichi
Department of Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-0033
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