s-Electron ferromagnetism in gold and silver nanoclusters

Nano Lett. 2007 Oct;7(10):3134-7. doi: 10.1021/nl071688h. Epub 2007 Sep 15.

Abstract

Ferromagnetic (FM) ordering in transition-metal systems (solids, surface layers, nanoparticles) arises from partially filled d shells. Thus, recent observations of FM Au nanoclusters was unexpected, and an explanation has remained elusive. Here we report first-principles density-functional spin-polarized calculations for Au and Ag nanoclusters. We find that the highest-occupied level is highly degenerate and partially filled by s electrons with spins aligned according to Hund's rule. The nanoclusters behave like "superatoms", with the spin-aligned electrons being itinerant on the outer shell of atoms.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Electrons
  • Gold / chemistry*
  • Magnetics*
  • Models, Chemical*
  • Models, Molecular*
  • Nanostructures / chemistry*
  • Silver / chemistry*

Substances

  • Silver
  • Gold