Half Metallicity in Hybrid BCN Nanoribbons

Abstract

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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• First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene
• A New Paradigm to Half-Metallicity in Graphene Nanoribbons
• Impurity induced spin gap asymmetry in nanoscale graphene
• Robust Dirac Point in Honeycomb Structure Nanoribbons with Zigzag Edges
• Electronic Structure, Phase Stability and Resistivity of Hybrid Hexagonal C${}_x$(BN)${}_{1-x}$ Two-dimensional Nanomaterial: A First-principles Study
• Dependence of atomic arrangement on length of flat bands in zigzag BC2N nanoribbons
• Appearance of Flat Bands and Edge States in Boron-Carbon-Nitride Nanoribbons
• Tunable electronic properties of partially edge-hydrogenated armchair boron-nitrogen-carbon nanoribbons