Oxygen segregation at coherent grain boundaries of cubic boron nitride

Chunlin Chen, Shuhui Lv, Zhongchang Wang, Mitsuhiro Saito, Naoya Shibata, Takashi Taniguchi, Yuichi Ikuhara

    Research output: Contribution to journalArticlepeer-review

    7 Citations (Scopus)

    Abstract

    Segregation of even a trace amount of impurities to grain boundaries (GBs) can often modify properties of polycrystalline materials. Here, we demonstrate, by a combined study of advanced transmission electron microscopy with atomistic first-principles calculations to two coherent Σ9 and Σ3 GBs of cubic boron nitride (BN), that the two GBs are inclined to trap oxygen, which induces notable electronic states at Fermi level in the forbidden band gap of bulk BN and lowers the GB adhesion energies significantly. Such GB weakening by oxygen segregation is attributed to the lessened charge transfer between grains and more ionic bonding nature at GB.

    Original languageEnglish
    Article number091607
    JournalApplied Physics Letters
    Volume102
    Issue number9
    DOIs
    Publication statusPublished - 2013 Mar 4

    ASJC Scopus subject areas

    • Physics and Astronomy (miscellaneous)

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