Spin-Transport in Defective Graphene Nanoribbons
msra(2008)
摘要
Using first-principles calculations, the effect of magnetic point defects
(vacancy and adatom) is investigated in zigzag graphene nanoribbons. The
structural, electronic, and spin-transport properties are studied. While
pristine ribbons display anti-parallel spin states at their edges, the defects
are found to perturb this coupling. The introduction of a vacancy drastically
reduces the energy difference between parallel and anti-parallel spin
orientations, though the latter is still favored. Moreover, the local magnetic
moment of the defect is screened by the edges so that the total magnetic moment
is quite small. In contrast, when an adatom is introduced, the parallel spin
orientation is preferred and the local magnetic moment of the defect adds up to
the contributions of the edges. Furthermore, a spin-polarized transmission is
observed at the Fermi energy, suggesting the use of such a defective graphene
nanoribbon as spin-valve device.
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关键词
spin polarization,materials science,magnetic moment
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