Magnetic structure of supersaturated iron-phosphorous BCC alloys

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Abstract

The occupation numbers and magnetic moments at central iron sites in BCC iron-phosphorous alloys represented by 15-atom clusters are calculated using the spin-polarized discrete variational method. It is found that the occupations of the spin-up Eg and the spin-down T2g 3d orbitals remain almost independent of the phosphorous content while electrons are transferred between their spin-down Eg and the spin-up T2g orbitals. The average magnetic moment is calculated and comparison to experimental data is made.

Original languageEnglish
Pages (from-to)251-256
Number of pages6
JournalPhysica B: Physics of Condensed Matter
Volume173
Issue number3
DOIs
Publication statusPublished - 1991

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ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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