東北大学 · 材料科学
Saito教授の研究室は、カーボンナノチューブやグラフェンなどの低次元炭素材料の電子構造とフォノン特性を理論的に解明する研究を展開しています。特に、ナノチューブのヘリシティや直径に起因する金属的・半導体的性質の違い、およびその光学的・電気的性質の chirality 依存性に注目しています。また、ラマン分光法を用いた電子状態の精密な評価や、ナノチューブ接合におけるトンネル伝導特性の理論的予測も行っています。
Figures are computed from collected data and may differ slightly.
The electronic structure for graphene monolayer tubules is predicted as a function of the diameter and helicity of the constituent graphene tubules. The calculated results show that approximately 1/3 of these tubules are a one-dimensional metal which is stable against a Peierls distortion, and the other 2/3 are one-dimensional semiconductors. The implications of these results are discussed.
The electronic structures of some possible carbon fibers nucleated from the hemisphere of a ${\mathrm{C}}_{60}$ molecule are presented. A one-dimensional electronic band-structure model of such carbon fibers, having not only rotational symmetry but also screw axes, is derived by folding the two-dimensional energy bands of graphite. A simple tight-binding model shows that some fibers are metallic and are stable against perturbations of the one-dimensional energy bands and the mixing of \ensuremat
Chirality-dependent van Hove singularities (vHs) of the one-dimensional electronic density of states (DOS) are discussed in connection with resonant Raman spectroscopy. The effect of trigonal warping on the energy dispersion relations near the Fermi energy splits the peaks of the density of states for metallic nanotubes, and the magnitude of this effect depends on the chiral angle of the carbon nanotube. The width of the peak splitting has a maximum for metallic zigzag nanotubes, and no splittin
Using nonresonant bond-polarization theory, the Raman intensity of a single-wall carbon nanotube is calculated as a function of the polarization of light and the chirality of the carbon nanotube. The force-constant tensor for calculating phonon dispersion relations in the nanotubes is scaled from those for two-dimensional graphite. The calculated Raman spectra do not depend much on the chirality, while their frequencies clearly depend on the nanotube diameter. The polarization and sample orienta
The phonon dispersion relations of graphite can be probed over a wide range of the Brillouin zone by double resonance Raman spectroscopy. The double resonance Raman process provides us with new assignments for the dispersive and nondispersive features observed in the Raman spectra of disordered graphite and carbon nanotubes, some features having been incorrectly assigned previously, or not assigned at all.
A three-dimensional structure of two carbon nanotubes (CN) joined by a connecting region containing a pentagon and heptagon pair is given by the use of a projection method. The connecting joint is uniquely determined for the given two chiral vectors of CN by a vector which defines a three-dimensional dihedral angle. The tunneling conductance is calculated for a metal-metal CN junction and a metal-semiconducting CN junction. The calculated results clearly show that these junctions work as the sma
The electronic structure of coaxial, graphene double-layer tubules is predicted for various combinations of metallic and insulating constituent inner and outer monolayers, depending on the diameter and chirality of the tubule. For the examples chosen, some of the energy bands of the inner and outer tubules are coupled to each other by commensurate interlayer interactions. Nevertheless, because of symmetry, the energy bands of metallic monolayer tubules remain metallic even after interlayer inter
Raman spectroscopy of transition metal dichalcogenides (TMDs) is reviewed based on our recent theoretical and experimental works. First, we discuss the semi-classical and quantum mechanical description for the polarization dependence of Raman spectra of TMDs in which the optical dipole transition matrix elements as a function of laser excitation energy are important for understanding the polarization dependence of the Raman intensity and Raman tensor. Overviewing the symmetry of TMDs, we discuss
A review of double resonance Raman spectroscopy is presented. Non-zone centre phonon modes in solids can be observed in the double resonance Raman spectra, in which weak Raman signals appear in a wide frequency region and their combination or overtone modes can be assigned. By changing the excitation laser energy, we can derive the phonon dispersion relations of a single nanotube.
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