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 beh...

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Bibliographic Details
Published in:Nano letters 2008-06, Vol.8 (6), p.1562-1565
Main Authors: Botello-Méndez, Andrés R, López-Urías, Florentino, Terrones, Mauricio, Terrones, Humberto
Format: Article
Language:English
Subjects:
Computer Simulation
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Exact sciences and technology
Magnetic properties and materials
Magnetic properties of nanostructures
Magnetics
Methods of electronic structure calculations
Models, Chemical
Nanostructures - chemistry
Nanostructures - ultrastructure
Nanotechnology - methods
Particle Size
Physics
Zinc Oxide - chemistry
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Summary: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.
ISSN:1530-6984
1530-6992
DOI:10.1021/nl072511q