Fe impurity in Al: Magnetic or nonmagnetic?

Diana Guenzburger*, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

61 Scopus citations

Abstract

First-principles electronic structure calculations were performed for a FeAl42 embedded cluster, representing an Fe impurity in Al. At the equilibrium positions of the Al first neighbors around Fe, obtained by total energy minimization, it was found that the impurity is nonmagnetic. This result is consistent with experimental observations and renders unnecessary a microscopic description based on spin fluctuations.

Original languageEnglish (US)
Pages (from-to)3832-3835
Number of pages4
JournalPhysical review letters
Volume67
Issue number27
DOIs
StatePublished - 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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