| Literature DB >> 18624385 |
Veronica Barone1, Juan E Peralta.
Abstract
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 muB 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.Entities:
Year: 2008 PMID: 18624385 DOI: 10.1021/nl080745j
Source DB: PubMed Journal: Nano Lett ISSN: 1530-6984 Impact factor: 11.189