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

37 Citations (Scopus)

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
Pages (from-to)687-691
Number of pages5
JournalJournal of Physical Chemistry B
Volume110
Issue number2
DOIs
Publication statusPublished - Jan 19 2006

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Paramagnetism
paramagnetism
Chemisorption
Gold
chemisorption
broken symmetry
gold
Nanoparticles
nanoparticles
Nanosystems
Molecules
Ferromagnetism
Magnetism
ferromagnetism
molecules
induction
rocks
Atoms
Electrodes
electrodes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Chemisorption-induced spin symmetry breaking in gold clusters and the onset of paramagnetism in capped gold nanoparticles. / Gonzalez, Carlos; Simón-Manso, Yamil; Marquez, Manuel; Mujica, Vladimiro.

In: Journal of Physical Chemistry B, Vol. 110, No. 2, 19.01.2006, p. 687-691.

Research output: Contribution to journalArticle

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