The Effects of Dangling Bonds on AlN Nanoribbons: A First-Principles Study
Journal of Superconductivity and Novel Magnetism(2015)
Abstract
The effects of dangling bonds on electronic and magnetic properties for both zigzag AlN nanoribbons (ZAlNNRs) and armchair AlN nanoribbons (AAlNNRs) are studied by using first-principles calculations. Though ZAlNNRs or AAlNNRs terminated with H at both edges are nonmagnetic semiconductors, the results show that no H at the left side and no H at both edges cause magnetic metal for ZAlNNRs, but magnetic semimetal for ZAlNNRs with no H terminated at the right side, which open a way to design magnetic nanodevices based on AlNNRs. The AAlNNRs with unilateral hydrogen passivation or no H at both edges are still nonmagnetic semiconductors. ZAlNNRs with no H at the right side have a spin polarization value of 100 %, indicating these systems can be used to construct efficient spin-polarized transport devices.
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Key words
AlN nanoribbons,First principles,Electronic,Magnetic
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