Structural, Electronic and Magnetic Properties of Ultra-Narrow NbSe2 Nanoribbons
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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Document Type: Research Article
Publication date: 2011-03-01
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