Journal
ACS NANO
Volume 3, Issue 11, Pages 3606-3612Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn900614x
Keywords
graphene; nanoribbons; magnetism; quantum transport; half metallicity; ab initio
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Funding
- CONACYT-Mexico [56787, 45762, 60218-F1, 45772, 41464, 42428, 2004-01-013/SALUD-CONACYT, PUE-2004-CO29, 63001 S-3908, 63072 S-3909]
- Center for Nanophase Materials Sciences (CNMS)
- Division of Scientific User Facilities, U.S. Department of Energy
- Division of Materials Science and Engineering, U.S. Department of Energy [DEAC05-00OR22725]
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We present a class of intramolecular graphene heterojunctions and use first-principles density functional calculations to describe their electronic, magnetic, and transport properties. The hybrid graphene and hybrid graphene nanoribbons have both armchair and zigzag features that are separated by an interface made up of pentagonal and heptagonal carbon rings. Contrary to conventional graphene sheets, the computed electronic density of states indicates that all hybrid graphene and nanoribbon systems are metallic. Hybrid nanoribbons are found to exhibit a remarkable width-dependent magnetic behavior and behave as spin polarized conductors.
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