Emergence of half-metallicity in suspended NiO chains: Ab initio electronic structure and quantum transport calculations

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David Jacob, J. Fernández-Rossier, and J. J. Palacios
Departamento de Física Aplicada and Instituto Universitario de Materiales de Alicante (IUMA), Universidad de Alicante, 03690 San Vicente del Raspeig, Spain

Received 11 July 2006; published 9 August 2006

Contraryto the antiferromagnetic and insulating character of bulk NiO, one-dimensionalchains of this material can become half metallic due tothe lower coordination of their atoms. Here we present abinitio electronic structure and quantum transport calculations of ideal infinitelylong NiO chains and of more realistic short ones suspendedbetween Ni electrodes. While infinite chains are insulating, short suspendedchains are half-metallic minority-spin conductors that displays very large magnetoresistanceand a spin-valve behavior controlled by a single atom.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.74.081402
DOI:	10.1103/PhysRevB.74.081402
PACS:	73.63.Rt; 75.47.Jn; 75.75.+a 73.63.Rt Nanoscale contacts (electronic transport) 75.47.Jn Ballistic magnetoresistance 75.75.+a Magnetic properties of nanostructures YEAR: 2006
KEYWORDS:	nickel compounds, antiferromagnetic materials, ab initio calculations, band structure, giant magnetoresistance, spin valves, nickel

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