Structural, electronic and magnetic properties of ultra-narrow NbSe2 nanoribbons.

J Nanosci Nanotechnol

State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, PR China.

Published: March 2011

Structural, electronic and magnetic properties of ultra-narrow NbSe2 nanoribbons with different chirality and edge structures are studied by using density functional theory calculations. Armchair-like NbSe2 nanoribbons exhibit nonmagnetic and metal behavior. Zigzag-like NbSe2 nanoribbons always have ferromagnetic ground states with electronic types ranging from semiconductor, metal, even to half-metal. And stability estimation indicates that the zigzag-like NbSe2 nanoribbons with 50% Se passivation at Nb edges are the most energetically stable. All these findings suggest potential applications of NbSe2 nanoribbons in spintronic devices.

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http://dx.doi.org/10.1166/jnn.2011.3579DOI Listing

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