Article

Magnetization profile for impurities in graphene nanoribbons

Physical review. B, Condensed matter (Impact Factor: 3.66). 08/2011; 84. DOI: 10.1103/PhysRevB.84.195431
Source: arXiv

ABSTRACT The magnetic properties of graphene-related materials and in particular the
spin-polarised edge states predicted for pristine graphene nanoribbons (GNRs)
with certain edge geometries have received much attention recently due to a
range of possible technological applications. However, the magnetic properties
of pristine GNRs are not predicted to be particularly robust in the presence of
edge disorder. In this work, we examine the magnetic properties of GNRs doped
with transition-metal atoms using a combination of mean-field Hubbard and
Density Functional Theory techniques. The effect of impurity location on the
magnetic moment of such dopants in GNRs is investigated for the two principal
GNR edge geometries - armchair and zigzag. Moment profiles are calculated
across the width of the ribbon for both substitutional and adsorbed impurities
and regular features are observed for zigzag-edged GNRs in particular. Unlike
the case of edge-state induced magnetisation, the moments of magnetic
impurities embedded in GNRs are found to be particularly stable in the presence
of edge disorder. Our results suggest that the magnetic properties of
transition-metal doped GNRs are far more robust than those with moments arising
intrinsically due to edge geometry.

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