Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes

Phys Chem Chem Phys. 2016 Apr 28;18(17):12307-11. doi: 10.1039/c6cp01477a.

Abstract

The fluorinated boron nitride (F-BN) nanostructures are found to be fully spin polarized and half-metallic by means of first-principles calculations based on the Heyd-Scuseria-Ernzerhof hybrid functional. It is found that the full spin polarization and 1 μB local moment in F-BN nanotubes are independent of tube radius and it is also robust in planar ribbons and sheets. The long-ranged ferromagnetic coupling between local moments decreases with decreasing tube radius. This suggests that F-BN systems with small local curvatures could be more easily experimentally observed and have greater potential applications in spin devices.

Publication types

  • Research Support, Non-U.S. Gov't