Verma, A. K. ; Modak, P. ; Rao, R. S. ; Godwal, B. K. ; Jeanloz, R. (2007) High-pressure phases of titanium: first-principles calculations Physical Review B, 75 (1). 014109_1-014109_5. ISSN 0163-1829
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Official URL: http://prb.aps.org/abstract/PRB/v75/i1/e014109
Related URL: http://dx.doi.org/10.1103/PhysRevB.75.014109
Abstract
We investigate through first-principles calculations the controversial observation of the high-pressure orthorhombic ( γ and δ) phases of titanium. Our calculations predict the transition sequence ω -γ -β under pressure, and reveal that the δ phase is elastically unstable under isotropic compression. We attribute its observation to nonhydrostatic stresses present in the diamond-anvil cell experiments. We find the γ phase to be stable in the 102-112 GPa pressure range, with the upper limit of this pressure range increasing under nonhydrostatic conditions.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 11623 |
| Deposited On: | 13 Nov 2010 14:09 |
| Last Modified: | 02 Jun 2011 08:40 |
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