Roles of light interstitials in magnetism of Fe

H. Akai, M. Takeda, M. Takahashi, J. Kanamori

    Research output: Contribution to journalArticlepeer-review

    12 Citations (Scopus)


    We present ab-initio electronic structure calculations for layered (FeX)1(Fe)5 (X=B, C, and N) and Fe4Z of perovskite structure, where Z denotes a hypothetical atom with a nuclear charge Z (5 ≤ Z ≤8). The calculations show, firstly, that the typical-element atoms enhance the magnetic moments of surrounding Fe atoms and, second, that chemical bonding between Z and Fe atoms drastically changes its character when Z increases continuously from 5 to 8. The latter, which causes a sudden increase in the magnetization near Z {reversed tilde equals} 7, may be important to understand the magnetism of FeN systems in general.

    Original languageEnglish
    Pages (from-to)509-513
    Number of pages5
    JournalSolid State Communications
    Issue number7
    Publication statusPublished - 1995 May


    • A. magnetic films and multilayers
    • A. magnetically ordered materials
    • A. metals
    • D. electronic band structure

    ASJC Scopus subject areas

    • Chemistry(all)
    • Condensed Matter Physics
    • Materials Chemistry


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