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Dimerization structures on the metallic and semiconducting fullerene tubules
Kikuo Harigaya, Mitsutaka Fujita
The Kekule patterns are realized in the metallic tubules and chain-like distortions occur in the semiconducting tubules.
Dimerization structures on the metallic and semiconducting fullerene tubules with half-filled electrons
Kikuo Harigaya, Mitsutaka Fujita
Possible dimerization patterns and electronic structures in fullerene tubules as the one-dimensional pi-conjugated systems are studied with the extended Su-Schrieffer-Heeger model.…
Dimerization and Energy-Level Structures in Fullerene Tubules Investigated with an Electron-Phonon Model
Kikuo Harigaya, Mitsutaka Fujita
Possible dimerization patterns and electronic structures in fullerene tubules as the π-conjugated systems are studied with the extended Su-Schrieffer- Heeger model. We assume vario…
C_{60} with O defects: Localized states in the gap and oxygen clustering
Kikuo Harigaya
We propose a Su-Schrieffer-Heeger type electron-phonon model for C_{60} with O defects and solve by the adiabatic approximation. Two new properties are obtained. (1) The dimerizati…
Lattice distortion and energy level structures in doped C_{60} and C_{70} studied with the extended Su-Schrieffer-Heeger model: Polaron excitations and optical absorption
Kikuo Harigaya
We extend the Su-Schrieffer-Heeger model of polyacetylene to C_{60} and C_{70} molecules, and solve numerically. The calculations of the undoped systems agree well with the known r…
Dispersion of the Third-Order Nonlinear Optical Susceptibility in C_{60} Calculated with a Tight-Binding Model
Kikuo Harigaya, Shuji Abe
The frequency dependence of third harmonic generation (THG) in C_{60} is calculated, making use of a tight-binding model for pi-electrons. The magnitudes of the THG, about 10^{-12}…