A comparative study of the ¿-phases of iron nitrides and iron carbides from first-principles

C Fang, MA van Huis, HW Zandbergen

    Research output: Contribution to journalArticleScientificpeer-review

    Abstract

    First-principles calculations were performed for the c-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to alpha-Fe, graphite and N-2, all the epsilon-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the epsilon-iron nitrides vary differently from those of the epsilon-carbides, as a function of the concentration of X (X=N, C). The structural relationships of epsilon-Fe2X with eta-Fe2X and zeta-Fe2X are discussed.
    Original languageEnglish
    Pages (from-to)296-299
    Number of pages4
    JournalScripta Materialia
    Volume64
    Issue number4
    Publication statusPublished - 2011

    Keywords

    • academic journal papers
    • CWTS 0.75 <= JFIS < 2.00

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