Abstract
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 language | English |
---|---|
Article number | 233502 |
Journal | Journal of Applied Physics |
Volume | 114 |
Issue number | 23 |
DOIs | |
Publication status | Published - 2013 Dec 21 |
ASJC Scopus subject areas
- Physics and Astronomy(all)