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

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number164704
JournalJournal of Chemical Physics
Volume140
Issue number16
DOIs
Publication statusPublished - 2014 Apr 28

ASJC Scopus subject areas

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

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