YU Jin, GUO Wanlin. A New Paradigm to Half-Metallicity in Graphene Nanoribbons. J. Phys. Chem. Lett., 2013, 4(6), 951–955.

A New Paradigm to Half-Metallicity in Graphene Nanoribbons

Jin Yu and Wanlin Guo
Key Laboratory for Intelligent Nano Materials and Devices of MOE and State Key Laboratory of Mechanics and Control of Mechanical Structures, Institute of Nano Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

J. Phys. Chem. Lett., 2013, 4 (6), pp 951–955
DOI: 10.1021/jz4001328

Publication Date (Web): March 5, 2013
Copyright © 2013 American Chemical Society

In contrast to the well-recognized transverse-electric-field-induced half-metallicity in zigzag graphene nanoribbons, here, we demonstrate by first-principles calculations that zigzag graphene nanoribbons sandwiched between hexagonal boron nitride nanoribbons or sheets can be tuned into half-metal simply by a bias voltage or a moderate compressive strain. The half-metallicity is attributed to an enhanced coupling effect of spontaneous polarization and asymmetrical exchange correlation along the ribbon width. The findings should open a viable route for efficient spin-resolved band engineering in graphene-based devices that are compatible with the current technology of the semiconductor industry.

Keywords: graphene nanoribbons; boron nitride; heterostructure; half-metallicity

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