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Structural, Electronic and Magnetic Properties of Ultra-Narrow NbSe2 Nanoribbons

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Abstract:

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.

Keywords: DENSITY FUNCTIONAL THEORY; FERROMAGNETIC; HALF-METAL; NBSE2

Document Type: Research Article

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

Publication date: March 1, 2011

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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