Magnetic boron nitride nanoribbons with tunable electronic properties

被引:317
作者
Barone, Veronica [1 ]
Peralta, Juan E. [1 ]
机构
[1] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA
关键词
D O I
10.1021/nl080745j
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present theoretical evidence, based on total-energy first-principies 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 <-> semiconducting <-> half-metallic transitions.
引用
收藏
页码:2210 / 2214
页数:5
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