Observation of Magnetic Edge State and Dangling Bond State on Nanographene in Activated Carbon Fibers

The electronic structure of nanographene in pristine and fluorinated activated carbon fibers (ACFs) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) and compared with magnetic properties we reported on previously. In pristine ACFs in which magnetic properties are governed by non-bonding edge states of the \pi-electron, a pre-peak assigned to the edge state was observed below the conduction electron {\pi}* peak close to the Fermi level in NEXAFS. Via the fluorination of the ACFs, an extra peak, which was assigned to the \sigma-dangling bond state, was observed between the pre-peak of the edge state and the {\pi}* peak in the NEXAFS profile. The intensities of the extra peak correlate closely with the spin concentration created upon fluorination. The combination of the NEXAFS and magnetic measurement results confirms the coexistence of the magnetic edge states of \pi-electrons and dangling bond states of \sigma-electrons on fluorinated nanographene sheets.Comment: 4 figures, to appear in Phys. Rev.

STM observation of the quantum interference effect in finite-sized graphite

Superperiodic patterns were observed by STM on two kinds of finite-sized graphene sheets. One is nanographene sheets inclined from a highly oriented pyrolitic graphite (HOPG) substrate and the other is several-layer-thick graphene sheets with dislocation-network structures against a HOPG substrate. As for the former, the in-plane periodicity increased gradually in the direction of inclination, and it is easily changed by attachment of a nanographite flake on the nanographene sheets. The oscillation pattern can be explained by the interference of electron waves confined in the inclined nanographene sheets. As for the latter, patterns and their corrugation amplitudes depended on the bias voltage and on the terrace height from the HOPG substrate. The interference effect by the perturbed and unperturbed waves in the overlayer is responsible for the patterns whose local density of states varies in space.Comment: 11 pages; 2 figures; accepted for publication in J. Phys. Chem. Solids; ISIC1

Novel electronic wave interference patterns in nanographene sheets

Superperiodic patterns with a long distance in a nanographene sheet observed by STM are discussed in terms of the interference of electronic wave functions. The period and the amplitude of the oscillations decrease spatially in one direction. We explain the superperiodic patterns with a static linear potential theoretically. In the k-p model, the oscillation period decreases, and agrees with experiments. The spatial difference of the static potential is estimated as 1.3 eV for 200 nm in distance, and this value seems to be reasonable in order that the potential difference remains against perturbations, for example, by phonon fluctuations and impurity scatterings. It turns out that the long-distance oscillations come from the band structure of the two-dimensional graphene sheet.Comment: Published as a LETTER in J. Phys.: Condens. Matter; 8 pages; 6 figures; Online version at http://www.iop.org/EJ/S/3/1256/0hJAmc5sCL6d.7sOO.BtLw/abstract/0953-8984/14/3 6/10

Theoretical study on novel electronic properties in nanographite materials

Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type model. We find that the open shell electronic structure can be an origin of the decreasing magnetic moment with the decrease of the inter-graphene distance, as experiments on adsorption of molecules suggest. Next, possible charge-separated states are considered using the extended Hubbard model with nearest-neighbor interactions. The charge-polarized state could appear, when a static electric field is present in the graphene plane for example. Finally, superperiodic patterns with a long distance in a nanographene sheet observed by STM are discussed in terms of the interference of electronic wave functions with a static linear potential theoretically. In the analysis by the k-p model, the oscillation period decreases spatially in agreement with experiments.Comment: 8 pages; 6 figures; accepted for publication in J. Phys. Chem. Solids; related Web site: http://staff.aist.go.jp/k.harigaya/index_E.htm

Kohn anomalies in graphene nanoribbons

The quantum corrections to the energies of the $\Gamma$ point optical phonon modes (Kohn anomalies) in graphene nanoribbons are investigated. We show theoretically that the longitudinal optical modes undergo a Kohn anomaly effect, while the transverse optical modes do not. In relation to Raman spectroscopy, we show that the longitudinal modes are not Raman active near the zigzag edge, while the transverse optical modes are not Raman active near the armchair edge. These results are useful for identifying the orientation of the edge of graphene nanoribbons by G band Raman spectroscopy, as is demonstrated experimentally. The differences in the Kohn anomalies for nanoribbons and for metallic single wall nanotubes are pointed out, and our results are explained in terms of pseudospin effects.Comment: 11 pages, 6 figure