Band structures of defective graphenes

Hatanaka, Masashi

doi:10.1016/j.jmmm.2010.10.006

Cited by 5 publications

(3 citation statements)

References 28 publications

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“…HOPGs often have defects, which form grain boundaries between the polycrystals. Laterally and longitudinally slipped defects in acene-edged HOPGs are particularly interesting in that the resultant defects are analyzable by graphene-based model (Hatanaka, 2010c). Fig.…”

Section: Defective Graphenesmentioning

confidence: 99%

“…This is considered to be the reason why HOPGs often exhibit weak ferromagnetism. When the displacement is small, it has been shown that energy cost for longitudinal slip is smaller than that of lateral slip (Hatanaka, 2010c), and the energy cost is perhaps compensated by the high-spin stability. Thus, as rough estimation, we guess that ferromagnetism observed in HOPGs is attributed to longitudinally slipped defects, which form grain boundaries including multilayers of graphene planes.…”

Section: Defective Graphenesmentioning

confidence: 99%

“…Thanks are due to Elsevier B. V. for permission to use figures in the original papers (Hatanaka 2010a(Hatanaka , 2010b(Hatanaka , 2010c.…”

Section: Acknowledgementsmentioning

confidence: 99%

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This work addresses the conception of purely organic magnetic materials by properly bridging high-spin polycyclic hydrocarbons A and B, through covalent ligands L. The strategy varies two degrees of freedom that govern the magnetic character of the A-L--B sequence, namely, the bridge response to spin polarization and the relative signs of spin density on carbon atoms to which the bridge is attached. Topological prescriptions based on Ovchinnikov's rule are proposed to predict ground-state spin multiplicities of various A-L-B sets. The relevance of these guiding principles is essentially confirmed through DFT calculations on dimers connected by conjugated bridges. The transferability of interunit magnetic couplings to larger assemblies is further checked, the building blocks tending to maintain their high-spin character whatever the environment. Such local designs open the way to periodic lattices of ferromagnetic, antiferromagnetic, ferrimagnetic, or paramagnetic materials.

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Band structures of defective graphenes

Cited by 5 publications

References 28 publications

Electronic States of Graphene-Based Ferromagnets

Electronic States of Graphene-Based Ferromagnets

Magnetic and Optical Properties of Graphene Materials with Porous Defects

Designing Magnetic Organic Lattices from High‐Spin Polycyclic Units

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