Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties

Details Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties

2008-03-13

arxiv.org/abs/0803.2024v1

Physics

Condensed Matter

Materials Science

12 pages, 5 figures, 2 tables

Scientific paper

We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations predict that all the magnetic configurations studied in this work are thermally accessible at room temperature and present an energy gap. In particular, we show that the high spin state, with a magnetic moment of 1 $\mu_B$ at each edge atom, presents a rich spectrum of electronic behaviors as it can be controlled by applying an external electric field in order to obtain metallic $\leftrightarrow$ semiconducting $\leftrightarrow$ half-metallic transitions.

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