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

Journal Article · Mon Apr 28 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4871897· OSTI ID:22253063

Xiao, Jianwei; Du, Jinglian; Wen, Bin; Zhang, Xiangyi ^[1]; Melnik, Roderick ^[2]; Kawazoe, Yoshiyuki ^[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)

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.

• OSTI ID: 22253063
• Journal Information: Journal of Chemical Physics, Vol. 140, Issue 16; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BORON NITRIDES
CRYSTAL STRUCTURE
INSTABILITY
PHASE STABILITY