Local environment of silicon in cubic boron nitride

Journal Article · Sat Dec 21 04:00:00 EST 2013 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4849015· OSTI ID:22266131

Murata, Hidenobu; Taniguchi, Takashi ^[1]; Hishita, Shunichi ^[2]; Yamamoto, Tomoyuki ^[3]; Oba, Fumiyasu ^[4]; Tanaka, Isao ^[4]

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1. Advanced Key Technologies Division, National Institute for Materials Science, 1-1 Namiki Tsukuba, Ibaraki 305–0044 (Japan)
2. Environment and Energy Materials Division, National Institute for Materials Science, 1-1 Namiki Tsukuba, Ibaraki 305–0044 (Japan)
3. Faculty of Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169–8555 (Japan)
4. Department of Materials Science and Engineering, Kyoto University, Yoshida-Honmachi, Sakyo, Kyoto 606–8501 (Japan)

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.

• OSTI ID: 22266131
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 23 Vol. 114; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION
ABSORPTION SPECTROSCOPY
BORON NITRIDES
DOPED MATERIALS
SILICON
X-RAY SPECTROSCOPY