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Contrasting interedge superexchange interactions of graphene nanoribbons embedded in h-BN and graphane

Title
Contrasting interedge superexchange interactions of graphene nanoribbons embedded in h-BN and graphane
Author
조준형
Keywords
HEXAGONAL BORON-NITRIDE; ZIGZAG GRAPHENE; TRANSPORT-PROPERTIES; HALF-METALLICITY; EDGE; MAGNETISM; NANOROADS; NANOTUBES; SHEETS; GROWTH
Issue Date
2015-07
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v. 92, NO 3, Page. 35443-35448
Abstract
Based on first-principles density-functional theory calculations, we present a comparative study of the electronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in a hexagonal boron nitride (BN) sheet and fully hydrogenated graphene (graphane) as a function of their width N (the number of zigzag C chains composing the ZGNRs). We find that ZGNRs/BN have the nonmagnetic ground state except at N = 5 and 6 that weakly stabilize as a half-semimetallic state, whereas ZGNRs/graphane with N ˃= 2 exhibit a strong antiferromagnetic coupling between ferromagnetically ordered edge states on each edge. It is revealed that the disparate magnetic properties of the two classes of ZGNRs are attributed to the contrasting interedge superexchange interactions arising from different interface structures: that is, the asymmetric interface structure of ZGNRs/BN gives a relatively short-range and weak superexchange interaction between the two inequivalent edge states, while the symmetric interface structure of ZGNRs/graphane gives a long-range, strong interedge superexchange interaction.
URI
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.035443http://hdl.handle.net/20.500.11754/25987
ISSN
1098-0121; 1550-235X
DOI
10.1103/PhysRevB.92.035443
Appears in Collections:
COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
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