Local spin-density theory of magnetism in amorphous FeB alloys

M. Tegze, J. Hafner, Ch Hausleitner

Research output: Article

3 Citations (Scopus)

Abstract

Self-consistent spin-polarized calculations of the electronic and magnetic structure of amorphous FexB1-x alloys, based on realistic models of the glass-structure generated by a simulated molecular-dynamics quench using tight-binding-bond forces between the atoms, are presented. The calculations predict average the moments in good agreement with experiment and small negative magnetic moments on the B sites whose origins are in a covalent coupling of the B p-states to the Fe spin-down band. In the glass richest in Fe, a few sites acquire a negative moment. It is found that the formation of negative Fe moments is due to a local-environment effect.

Original languageEnglish
Pages (from-to)311-314
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume156-158
Issue numberPART 1
DOIs
Publication statusPublished - máj. 2 1993

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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