Prediction of Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons

Details Prediction of Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons Prediction of Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons

2008-04-27

arxiv.org/abs/0804.4271v1

Physics

Condensed Matter

Materials Science

10 pages, 3 figures

Scientific paper

First-principles calculations reveal half metallicity in zigzag boron nitride (BN) nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite being a pure $sp$-electron system, the ribbon shows a giant spin splitting. The electrons at the Fermi level are 100% spin polarized with a half-metal gap of 0.38 eV and its conductivity is dominated by metallic single-spin states. The two states across at the Dirac point have different molecular origins, which signals a switch of carrier velocity. The ZBNNR should be a good potential candidate for widegap spintronics.

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