Gyanchandani, J. S. ; Gupta, S. C. ; Sikka, S. K. ; Chidambaram, R. (1990) The equation of state and structural stability of titanium obtained using the linear muffin-tin orbital band-structure method Journal of Physics: Condensed Matter, 2 (2). pp. 301-306. ISSN 0953-8984
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Official URL: http://iopscience.iop.org/0953-8984/2/2/006
Related URL: http://dx.doi.org/10.1088/0953-8984/2/2/006
Abstract
Room-temperature isotherms of titanium in HCP and omega -phases are calculated by the first-principles linear muffin-tin orbital energy band method. Comparison with experimental data shows excellent agreement. Structural phase stability analysis by the Andersen force theorem shows that the omega -phase is the lowest-energy phase at 0 K and normal volume. The possibility that the s to d electronic transition is the cause of shock discontinuity at 17.5 GPa.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Institute of Physics. |
| ID Code: | 86242 |
| Deposited On: | 08 Mar 2012 11:31 |
| Last Modified: | 12 Jul 2012 07:05 |
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