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Title: Local environment of silicon in cubic boron nitride

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.
Authors:
;  [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [5]
  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)
  5. (Japan)
Publication Date:
OSTI Identifier:
22266131
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 23; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION; ABSORPTION SPECTROSCOPY; BORON NITRIDES; DOPED MATERIALS; SILICON; X-RAY SPECTROSCOPY