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Published in

American Chemical Society, Nano Letters, 10(7), p. 3134-3137, 2007

DOI: 10.1021/nl071688h

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s-Electron Ferromagnetism in Gold and Silver Nanoclusters

Journal article published in 2007 by Weidong Luo ORCID, Stephen J. Pennycook, Sokrates T. Pantelides
This paper was not found in any repository; the policy of its publisher is unknown or unclear.
This paper was not found in any repository; the policy of its publisher is unknown or unclear.

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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.