High-pressure phases of titanium: First-principles calculations
High-pressure phases of titanium: First-principles calculations
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DOI：
10.1103/physrevb.75.014109
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发表时间：
2007-01-01
影响因子：
3.7
通讯作者：
Jeanloz, R.
中科院分区：
文献类型：
--
作者：
Verma, A. K.;Modak, P.;Jeanloz, R.
We investigate through first-principles calculations the controversial observation of the high-pressure orthorhombic (gamma and delta) phases of titanium. Our calculations predict the transition sequence omega-gamma-beta under pressure, and reveal that the delta phase is elastically unstable under isotropic compression. We attribute its observation to nonhydrostatic stresses present in the diamond-anvil cell experiments. We find the gamma phase to be stable in the 102-112 GPa pressure range, with the upper limit of this pressure range increasing under nonhydrostatic conditions.
