Lattice and Electronic Structures of Undoped and Doped C_<60> Molecules by the Extended Su-Schrieffer-Heeger Model

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概要

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• Lattice and electronic structures of undoped and doped C,., are investigated. TheSu-Schrieffer-Heeger model is extended and solved numerically. For the undopedsystem, electronic level structures agree well with those of th tight-binding model[1-Iayden and Mele: Phys. Rev. B 36 (1987) 50103. When one or two electrons areadded or removed, the lattice deforms and two levels intrude into the energy gap likea polaron in polyacetylene. The dimerization becomes weaker along a meridian. Consequences of "polarons" for experimental studies are discussed.

• 社団法人日本物理学会の論文
• 1991-12-15

著者

• Harigaya Kikuo

  Fundamental Physics Section Physical Science Division Electrotechnical Laboratory

• Harigaya Kikuo

  Fundamental Physics Section Electrotechnical Laboratory

• Harigaya Kikuo

  Fundamental Physics Section,Physical Science Division,Electrotechnical Laboratory

関連論文

• Dispersion of the Third-Order Nonlinear Optical Susceptibility in C_60 Calculated with a Tight-Binding Model
• Polaron Excitations in Fullerenes : Theory as π-Conjugated Systems
• Optical Absorption Spectra of A_6C_ : Reduction of Effective Coulomb Interactions
• Optical Absorption in Higher Fullerenes : Effects of Symmetry Reduction
• Lattice and Electronic Structures of Undoped and Doped C_ Molecules by the Extended Su-Schrieffer-Heeger Model

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