Structural, Electronic and Magnetic Properties of Ultra-Narrow NbSe2 Nanoribbons
Authors: Ji, Kai; Yu, Lili; Lu, Jing; Li, Hong; Luo, Guangfu; Zhou, Jing; Qin, Rui; Liu, Qihang; Lai, Lin; Gao, Zhengxiang
Source: Journal of Nanoscience and Nanotechnology, Volume 11, Number 3, March 2011 , pp. 2075-2079(5)
Publisher: American Scientific Publishers
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.
Document Type: Research Article
Publication date: 2011-03-01
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