title: Structural, electronic and magnetic properties of ultra-narrow NbSe2 nanoribbons.
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.
authors: State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, PR China.
authors: Kai
authors: K
authors: Ji
authors: Lili
authors: L
authors: Yu
authors: Jing
authors: J
authors: Lu
authors: Hong
authors: H
authors: Li
authors: Guangfu
authors: G
authors: Luo
authors: Jing
authors: J
authors: Zhou
authors: Rui
authors: R
authors: Qin
authors: Qihang
authors: Q
authors: Liu
authors: Lin
authors: L
authors: Lai
authors: Zhengxiang
authors: Z
authors: Gao
mesh_terms: D003460:Crystallization / Q000379:methods*; D017097:Electric Impedance; D046911:Macromolecular Substances / Q000737:chemistry; D008280:Magnetics; D008422:Materials Testing; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods*; D009556:Niobium / Q000737:chemistry*; D010316:Particle Size; D012643:Selenium / Q000737:chemistry*; D013499:Surface Properties; D014025:Titanium / Q000737:chemistry*
chemical_list: D046911:Macromolecular Substances; D009556:Niobium; C009495:titanium dioxide; D014025:Titanium; D012643:Selenium