Possible excited spin density wave states in zigzag graphene nanoribbons
arXiv:1612.06762 · doi:10.1088/1367-2630/aa9fa0
Abstract
We theoretically examine the possible spin ordered states in zigzag graphene nanoribbon in a large supercell by the self-consistent mean field method as well as the first principle calculation. In addition to the well-known anti-ferromagnetic (AF) and ferromagnetic (FM) edge states, we find that there are also some excited spin density wave (ESDW) states, the energy of which are close to the AF edge state (ground state). We thus argue that these ESDW states may coexist in experiment when the temperature is not too low. Our numerical results indicate that the allowed ESDW are commensurate; and their dispersion curve is plotted. This interesting feature results from the fact the there is a flat edge band near the Fermi surface in the graphene zigzag ribbon. Finally we use the non-equilibrium Green function theory combined with the Hubbard model to calculate some possible spin polarization states localized in the middle and terminal parts of graphene nanoribbons.
16 pages, 8 figures
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