Magnetic behavior in zinc oxide zigzag nanoribbons.
We use first principles calculations to investigate the magnetic properties of zinc oxide nanoribbons with zigzag-terminated edges. The polarized spin density of states is calculated as a function of the nanoribbons width and thickness. All nanoribbons formed by a single layer exhibit a magnetic behavior independently of the width. By analyzing the charge density and spin density, we determine that the oxygen-dominated edge exhibits unpaired spins. When the thickness of the ribbons is increased, a magnetic moment is observed only for specific thicknesses.
Botello-Méndez
Andrés R
AR
Advanced Materials Department, IPICYT, San Luis Potosí, Mexico.
López-Urías
Florentino
F
Terrones
Mauricio
M
Terrones
Humberto
H
D003198:Computer Simulation; D008280:Magnetics; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods*; D010316:Particle Size; D015034:Zinc Oxide / Q000737:chemistry*
D015034:Zinc Oxide