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Updated: Jul 3, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Magnetic boron nitride nanoribbons with tunable electronic properties
Veronica Barone1, Juan E Peralta
1Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.
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.

