Local environment of silicon in cubic boron nitride

Hidenobu Murata, Takashi Taniguchi, Shunichi Hishita, Tomoyuki Yamamoto, Fumiyasu Oba, Isao Tanaka

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Si-doped cubic boron nitride (c-BN) is synthesized at high pressure and high temperature, and the local environment of Si is investigated using X-ray absorption near edge structure (XANES) and first-principles calculations. Si-K XANES indicates that Si in c-BN is surrounded by four nitrogen atoms. According to first-principles calculations, the model for substitutional Si at the B site well reproduces experimental Si-K XANES, and it is energetically more favorable than substitutional Si at the N site. Both the present experimental and theoretical results indicate that Si in c-BN prefers the B site to the N site.

Original languageEnglish
Article number233502
JournalJournal of Applied Physics
Issue number23
Publication statusPublished - 2013 Dec 21

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Murata, H., Taniguchi, T., Hishita, S., Yamamoto, T., Oba, F., & Tanaka, I. (2013). Local environment of silicon in cubic boron nitride. Journal of Applied Physics, 114(23), [233502]. https://doi.org/10.1063/1.4849015