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.
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Jianwei
J
Xiao
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Jinglian
J
Du
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Bin
B
Wen
MNeT Lab, Wilfrid Laurier University, Waterloo25, 75 University Ave. West, Ontario, Canada N2L 3C5.
Roderick
R
Melnik
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, Russia.
Yoshiyuki
Y
Kawazoe
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Xiangyi
X
Zhang