Half Metallicity in Hybrid BCN Nanoribbons

Details Half Metallicity in Hybrid BCN Nanoribbons Half Metallicity in Hybrid BCN Nanoribbons

2008-03-14

arxiv.org/abs/0803.2073v1

J. Chem. Phys. 129, 084712 (2008)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1063/1.2971187

We report a first-principles electronic-structure calculation on C and BN hybrid zigzag nanoribbons. We find that half-metallicity can arise in the hybrid nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap. This unexpected half-metallicity in the hybrid nanos-tructures stems from a competition between the charge and spin polarizations, as well as from the pi orbital hybridization between C and BN. Our results point out a possibility of making spintronic devices solely based on nanoribbons and a new way of designing metal-free half metals.

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