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

J Nanosci Nanotechnol. 2011 Mar;11(3):2075-9. doi: 10.1166/jnn.2011.3579.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallization / methods*
  • Electric Impedance
  • Macromolecular Substances / chemistry
  • Magnetics
  • Materials Testing
  • Molecular Conformation
  • Nanostructures / chemistry*
  • Nanostructures / ultrastructure*
  • Nanotechnology / methods*
  • Niobium / chemistry*
  • Particle Size
  • Selenium / chemistry*
  • Surface Properties
  • Titanium / chemistry*

Substances

  • Macromolecular Substances
  • Niobium
  • titanium dioxide
  • Titanium
  • Selenium