The Electronic and Magnetic Structure of Iron–Interstitial Metalloid Alloys

M. E. Elzain

doi:10.1023/A:1021297818649

The Electronic and Magnetic Structure of Iron–Interstitial Metalloid Alloys

M. E. Elzain^*

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

We have studied the Fe-X (X=B, C and N) systems, represented by clusters of atoms, using the discrete variational method. The calculated properties at the cluster's central site are compared with experimental and other theoretical results. The local magnetic, contact magnetic hyperfine field and contact charge density at the central site were calculated for different locations of impurities in bct, fcc and for intermediate structures. The calculated properties for N impurities are somehow different from those obtained for B and C impurities. The reasons behind the large average magnetic moment at Fe site in Fe-N systems were not convincingly clarified, however, distinctive features related to these systems are pointed out.

Original language	English
Pages (from-to)	35-45
Number of pages	11
Journal	Hyperfine Interactions
Volume	141-142
Issue number	1-4
DOIs	https://doi.org/10.1023/A:1021297818649
Publication status	Published - Jun 28 2002

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Nuclear and High Energy Physics
Condensed Matter Physics
Physical and Theoretical Chemistry

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abstract = "We have studied the Fe-X (X=B, C and N) systems, represented by clusters of atoms, using the discrete variational method. The calculated properties at the cluster's central site are compared with experimental and other theoretical results. The local magnetic, contact magnetic hyperfine field and contact charge density at the central site were calculated for different locations of impurities in bct, fcc and for intermediate structures. The calculated properties for N impurities are somehow different from those obtained for B and C impurities. The reasons behind the large average magnetic moment at Fe site in Fe-N systems were not convincingly clarified, however, distinctive features related to these systems are pointed out.",

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AB - We have studied the Fe-X (X=B, C and N) systems, represented by clusters of atoms, using the discrete variational method. The calculated properties at the cluster's central site are compared with experimental and other theoretical results. The local magnetic, contact magnetic hyperfine field and contact charge density at the central site were calculated for different locations of impurities in bct, fcc and for intermediate structures. The calculated properties for N impurities are somehow different from those obtained for B and C impurities. The reasons behind the large average magnetic moment at Fe site in Fe-N systems were not convincingly clarified, however, distinctive features related to these systems are pointed out.

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The Electronic and Magnetic Structure of Iron–Interstitial Metalloid Alloys

Abstract

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