First-Principles Study of Iron Segregation into Silicon ..Sigma..5 Grain Boundary: Article No. 093713

    Research output: Contribution to journalArticlepeer-review

    Original languageAmerican English
    Number of pages3
    JournalJournal of Applied Physics
    Issue number9
    StatePublished - 2010

    NREL Publication Number

    • NREL/JA-520-48838


    • bond angle
    • bond length
    • chemical elements
    • crystal field theory
    • crystallographic defects
    • electrostatics
    • first-principle calculations
    • probability theory
    • total energy calculations
    • transition metals

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