Theoretical study on novel electronic properties in nanographite materials
Kikuo Harigaya, Atsushi Yamashiro, Yukihiro Shimoi, Katsunori Wakabayashi, Yousuke Kobayashi, Naoki Kawatsu, Kazuyuki Takai, Hirohiko Sato, Jerome Ravier, Toshiaki Enoki, Morinobu Endo
Abstract
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.
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