Magnetic impurities in magic-number clusters

Ralph Skomski, D. J. Sellmyer

Research output: Contribution to journalArticle

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Abstract

It is investigated how magnetic impurities modify the behavior of metallic clusters. Two complementary models are used, an s-d exchange model with a stable magnetic moment and a Hubbard-type Kondo model. The s-d and s-f interactions are modeled by a pointlike potential, as in the Ruderman-Kittel-Kasuya-Yosida approximation, but the perturbed levels are obtained by diagonalizing the interaction matrix rather than using perturbation theory. The spin polarization of the conduction electrons due to the magnetic impurities leads to a reduction of the highest occupied molecular orbital-lowest unoccupied molecular orbital splitting. A particularly interesting case is Pt, which is used in catalysis and whose well-delocalized 5d electrons are easily spin polarized by conduction electrons. Strikingly, the simplest realization of the Kondo effect is reproduced by an unrestricted Hartree-Fock approximation.

Original languageEnglish (US)
Article number09G524
JournalJournal of Applied Physics
Volume101
Issue number9
DOIs
StatePublished - May 21 2007

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conduction electrons
impurities
molecular orbitals
Kondo effect
Hartree approximation
catalysis
perturbation theory
magnetic moments
interactions
polarization
matrices
approximation
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Magnetic impurities in magic-number clusters. / Skomski, Ralph; Sellmyer, D. J.

In: Journal of Applied Physics, Vol. 101, No. 9, 09G524, 21.05.2007.

Research output: Contribution to journalArticle

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