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

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.
Authors:
; ; ;  [1] ;  [2] ;  [3]
  1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)
  2. M2NeT Lab, Wilfrid Laurier University, Waterloo25, 75 University Ave. West, Ontario, Canada N2L 3C5 (Canada)
  3. New Industry Creation Hatchery Center, Tohoku University, 6-6-4 Aramaki-aza-Aoba, Aoba-ku, Sendai 980-8579, Japan and Institute of Thermophysics, Siberian Branch of the Russian Academy of Sciences, 1, Lavyrentyev Avenue, Novosibirsk 630090 (Russian Federation)
Publication Date:
OSTI Identifier:
22253063
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 16; Other Information: (c) 2014 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; BORON NITRIDES; CRYSTAL STRUCTURE; INSTABILITY; PHASE STABILITY