Density functional study of fee iron and iron particles in copper

Diana Guenzburger*, Donald E Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The first-principles spin-polarized discrete variational method in the framework of density functional theory was employed to investigate the electronic and magnetic structure of fee (γ) Fe and of γ-Fe particles in copper, represented by 62-atom embedded clusters of cubic geometry. The influence of Al substitutional impurities in γ-Fe and in the Fe particle in Cu was also investigated. Magnetic moments and hyperfine fields were obtained.

Original languageEnglish (US)
Pages (from-to)6429-6431
Number of pages3
JournalJournal of Applied Physics
Volume79
Issue number8 PART 2B
StatePublished - Apr 15 1996

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physics and Astronomy (miscellaneous)

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