Chemisorption-induced spin symmetry breaking in gold clusters and the onset of paramagnetism in capped gold nanoparticles

Carlos Gonzalez, Yamil Simón-Manso, Manuel Marquez, Vladimiro Mujica

Research output: Contribution to journalArticle

38 Scopus citations

Abstract

We present a simple model to describe the induction of magnetic behavior on gold clusters upon chemisorption of one organic molecule with different chemical linkers. In particular, we address the problem of stability of the lowest lying singlet and show that for some linkers there exists a spin symmetry-breaking that lowers the energy and leads to preferential spin density localization on the gold atoms neighboring the chemisorption site. The model is basically an adaptation of the Stoner model for itinerant electron ferromagnetism to finite clusters and it may have important implications for our understanding of surface magnetism in larger nanosystems and its relevance to electronic transport in electrode-molecule interfaces.

Original languageEnglish (US)
Pages (from-to)687-691
Number of pages5
JournalJournal of Physical Chemistry B
Volume110
Issue number2
DOIs
StatePublished - Jan 19 2006

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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