Phase stability limit of c-BN under hydrostatic and non-hydrostatic pressure conditions

Jianwei Xiao, Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, Xiangyi Zhang

研究成果: Article査読

7 被引用数 (Scopus)

抄録

Phase stability limit of cubic boron nitride (c-BN) has been investigated by the crystal structure search technique. It indicated that this limit is ∼1000 GPa at hydrostatic pressure condition. Above this pressure, c-BN turns into a metastable phase with respect to rocksalt type boron nitride (rs-BN). However, rs-BN cannot be retained at 0 GPa owing to its instability at pressure below 250 GPa. For non-hydrostatic pressure conditions, the phase stability limit of c-BN is substantially lower than that under hydrostatic pressure conditions and it is also dramatically different for other pressure mode.

本文言語English
論文番号164704
ジャーナルJournal of Chemical Physics
140
16
DOI
出版ステータスPublished - 2014 4 28

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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