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Conclusion In analogy with GNRs, systematical study on the geometric, electronic, and magnetic properties of BNRs with orientation along x- and y-axis and the ribbon width Nx (Ny) = 4 to 12 were carried out using DFT calculations. Spin polarized calculations demonstrated that BxNRs are NM while ByNRs adopt an anti-ferromagnetic (AFM) ground state along with a ferromagnetic (FM) metastable state. It is found the edge states play a key role in magnetic properties. In contrast, the electronic properties are less affected by the edge states. Interestingly, pristine ByNR undergoes a metal- semiconductor-metal transition at Ny = 7. Though BxNRs remain metallic regardless the Nx value, the conductance of BxNRs systematically increases with increasing Nx. Hydrogenation turns the magnetic ground state to NM for all BNR varieties herein studied, illustrating the importance of the edge state on the magnetic properies. Upon hydrogenation, the metal-semiconductor-metal transition is preserved in hByNRs at Ny = 7. Acknowledgements The authors would like to acknowledge the support of NSF DMR 1307740 and the discussion with Dr. Don Liebenberg.PDF Image | Magnetic Properties of Borophene Nanoribbons
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