Point defect configurations of supersaturated Au atoms inside Si nanowires

Sang Ho Oh, Klaus Van Benthem, Sergio I. Molina, Albina Y. Borisevich, Weidong Luo, Peter Werner, Nikolai D. Zakharov, Dhananjay Kumar, Sokrates T. Pantelides, Stephen J. Pennycook

    Research output: Contribution to journalArticlepeer-review

    113 Scopus citations

    Abstract

    Aberration-corrected scanning transmission electron microscopy (STEM) is used to reveal individual Au atom configurations inside Si nanowires grown by Au-catalyzed vapor-liquid-solid (VLS) molecular beam epitaxy (MBE). We identify a substitutional and three distinct interstitial configurations, one of which has not been previously identified. We confirm the stability of the observed point defect configurations by density functional theory (DFT) calculations. The observed number densities of the various configurations are in accord with their calculated formation energies. The concentration of Au atoms is larger than the solubility limit, but the effect may be caused by the STEM beam.

    Original languageEnglish
    Pages (from-to)1016-1019
    Number of pages4
    JournalNano Letters
    Volume8
    Issue number4
    DOIs
    StatePublished - Apr 2008

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