Electronic and magnetic structures of body-centered iron-carbon systems

M. E. Elzain*, A. A. Yousif, H. Pollak

*Corresponding author for this work

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The discrete variational method is used to calculate the electronic and magnetic structures of clusters representing iron-carbon systems in tetragonally distorted body centered structures. It is found that the magnetic hyperfine field is sensitive to the position of carbon. The magnitude of the field decreases when carbon resides at the neighboring and next neighboring octahedral sites and it increases on the occupation of the fifth neighboring octahedral site at the axial position. Carbon at third and fourth neighboring positions has minor effect on iron properties. The calculated properties are correlated to the interpretation of the Mössbauer results in iron martensites.

Original languageEnglish
Pages (from-to)297-302
Number of pages6
JournalJournal of Physics and Chemistry of Solids
Volume57
Issue number3
DOIs
Publication statusPublished - Mar 1996

Keywords

  • A. magnetic materials
  • C. ab initio calculation
  • C. electronic structure
  • C. magnetic structure

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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