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Magnetic and charge orders in zigzag nanographene ribbons
Authors:Kikuo Harigaya  Atsushi Yamashiro  Yukihiro Shimoi  Katsunori Wakabayashi
Institution:a Nanotechnology Research Institute and Synthetic Nano-function Materials Project, AIST, Umezono 1-1-1, Tsukuba 305-8568, Japan;b Department of Chemistry, Kyoto University, Kyoto 606-8502, Japan;c Department of Quantum Matter Science, Hiroshima University, Higashi-Hiroshima 739-8530, Japan
Abstract:We theoretically study the electronic states in graphene ribbons which are strongly affected by the edge states, the peculiar non-bonding molecular orbitals localized along the zigzag edges of the ribbons. New kinds of edge localized electronic states with spin and charge polarizations are found in the mean field solutions of the extended Hubbard model with onsite and nearest-neighbor Coulomb repulsions. These novel states appear due to the interplay between the edge states and the Fermi instabilities. We also examine the competition between the charge polarized state and the spin polarized state to draw a phase diagram depending on Coulomb parameters. The results obtained by the mean field calculations with the extended Hubbard model modified to include Coulomb integrals provide useful insights to understand and functionalize the nanoscale materials.
Keywords:Nanographite  Edge states    bius strip  Helical magnetism  Domain wall  Extended hubbard model
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