Physical Review B · 2011 · 231 citations · 41 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMagnetic MaterialsNanomaterialsGraphene NanomaterialsMagnetic NanomaterialsMagnetic Properties Of SolidsMagnetism In SolidsTopological MaterialsGrapheneGraphene DefectsGraphene MaterialsGraphene NanoribbonsGraphene NanostructuresMechanismsPassivationPassivation Mechanisms
We critically discuss the stability of edge states and edge magnetism in zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge states might not exist in real systems and show that there are at least three very natural mechanisms---edge reconstruction, edge passivation, and edge closure---which dramatically reduce the effect of edge states in ZGNRs or even totally eliminate them. Even if systems with magnetic edge states could be made, the intrinsic magnetism would not be stable at room temperature. Charge doping and the presence of edge defects further destabilize the intrinsic magnetism of such systems.
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Projector augmented-wave method
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Natural Sciences, Chemistry, Physics +17
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