Suppression of spin-polarization in graphene nanoribbon by edge defect and impurity

Details Suppression of spin-polarization in graphene nanoribbon by edge defect and impurity Suppression of spin-polarization in graphene nanoribbon by edge defect and impurity

2007-08-14

arxiv.org/abs/0708.1795v2

PHYSICAL REVIEW B 77, 153411, 2008

Physics

Condensed Matter

Materials Science

10 pages, 5 figures

Scientific paper

10.1103/PhysRevB.77.153411

We investigate the effect of edge defects (vacancies) and impurities (substitutional dopants) on the robustness of spin-polarization in graphene nanoribbons (GNRs) with zigzag edges, using density-functional-theory calculations. We found that the stability of the spin state and its magnetic moments decrease continuously with increasing concentration of defects or impurities. The system generally becomes non-magnetic at the concentration of one edge defect (impurity) per 10 angstrom. The spin suppression is shown to be caused by reduction and removal of edge states at the Fermi energy. Our analysis implies an important criterion on the GNR samples for spintronics applications.

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