High pressure stability of β-Zr: no evidence for isostructural phase transitions

2021 ◽  
pp. 1-20
Author(s):  
E. F. O’Bannon III ◽  
P. Söderlind ◽  
D. S. Sneed ◽  
M. J. Lipp ◽  
H. Cynn ◽  
...  
2006 ◽  
Vol 39 (4) ◽  
pp. 440-448 ◽  
Author(s):  
Dolores Rodrigo ◽  
Clara Cortés ◽  
Elke Clynen ◽  
Liliane Schoofs ◽  
Ann Van Loey ◽  
...  

Crystals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 34
Author(s):  
Akun Liang ◽  
Robin Turnbull ◽  
Enrico Bandiello ◽  
Ibraheem Yousef ◽  
Catalin Popescu ◽  
...  

We report the first high-pressure spectroscopy study on Zn(IO3)2 using synchrotron far-infrared radiation. Spectroscopy was conducted up to pressures of 17 GPa at room temperature. Twenty-five phonons were identified below 600 cm−1 for the initial monoclinic low-pressure polymorph of Zn(IO3)2. The pressure response of the modes with wavenumbers above 150 cm−1 has been characterized, with modes exhibiting non-linear responses and frequency discontinuities that have been proposed to be related to the existence of phase transitions. Analysis of the high-pressure spectra acquired on compression indicates that Zn(IO3)2 undergoes subtle phase transitions around 3 and 8 GPa, followed by a more drastic transition around 13 GPa.


2001 ◽  
Vol 62 (5) ◽  
pp. 941-949 ◽  
Author(s):  
H. Hirano ◽  
S. Uehara ◽  
A. Mori ◽  
A. Onodera ◽  
K. Takemura ◽  
...  

Author(s):  
V. N. Raja ◽  
R. Shashidhar ◽  
S. Chandrasekhar ◽  
A. Blumstein ◽  
R. B. Blumstein ◽  
...  

1995 ◽  
Vol 187 (1) ◽  
pp. 149-156 ◽  
Author(s):  
J. González ◽  
E. Calderón ◽  
F. Capet

1999 ◽  
Vol 55 (4) ◽  
pp. 484-493 ◽  
Author(s):  
Lidunka Vočadlo ◽  
Geoffrey D. Price ◽  
I. G. Wood

An investigation of the relative stability of the FeSi structure and of some hypothetical polymorphs of FeSi has been made by first-principles pseudopotential calculations. It has been shown that the observed distortion from ideal sevenfold coordination is essential in stabilizing the FeSi structure relative to one of the CsCl type. Application of high pressure to FeSi is predicted to produce a structure having nearly perfect sevenfold coordination. However, it appears that FeSi having a CsCl-type structure will be the thermodynamically most stable phase for pressures greater than 13 GPa. Fitting of the calculated internal energy vs volume for the FeSi structure to a third-order Birch–Murnaghan equation of state led to values, at T = 0 K, for the bulk modulus, K 0, and for its first derivative with respect to pressure, K 0′, of 227 GPa and 3.9, respectively.


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