Peculiar Localized State at Zigzag Graphite Edge

概要

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We study the electronic states of graphite ribbons with edges of two typical shapes, armchairand zigzag, by performing tight binding band calculations, and find that the graphite ribbonsshoxv striking contrast in the electronic states depending on the edge shape. In partictrlar, azigzag ribbon shows a retnarkably sharp peatk of density of states at the Fermi level, which doesnot originate from infinite graphite. We find that the singular electronic states arise from thepartly flat bands at the Feruni level, whose wave functions are mainly localized on the zigzag edge.We reveal the puzzle for the eznergence of the peculiar edge state by deriving the analytic formin the case of semi-infinite grajohite with a zigzag edge. Applying the Hubbard model withinthe mean-field approximation, xve discuss the possible magnetic structtmre in nanometer-scalemicrographite.
社団法人日本物理学会の論文
1996-07-15