Post-Rh2O3(II)transition and the high pressure-temperature phase diagram of gallia: A first-principles and x-ray diffraction study

2007 ◽  
Vol 76 (17) ◽  
Author(s):  
Taku Tsuchiya ◽  
Hitoshi Yusa ◽  
Jun Tsuchiya
2008 ◽  
Vol 77 (17) ◽  
Author(s):  
V. Dmitriev ◽  
Y. Filinchuk ◽  
D. Chernyshov ◽  
A. V. Talyzin ◽  
A. ilewski ◽  
...  

2001 ◽  
Vol 15 (24n25) ◽  
pp. 3366-3368
Author(s):  
V. L. SOBOLEV ◽  
V. M. ISHCHUK

The phase transition from the paraelectric phase to ordered phases in Pb1-x(Li1/2La1/2)x(Zr1-yTiy)O3 with compositions close to the ferroelectric - antiferroelectric - paraelectric triple point in the Ti-content - temperature phase diagram is studied. X-ray diffraction is used to identify two - phase (antiferroelectric and ferroelectric) nuclei embeded in a paraelectric matrix. The relation between these two-phase nuclei in paraelectric phase and the diffuseness of the phase transition is discussed.


2021 ◽  
Vol 11 (15) ◽  
pp. 6719
Author(s):  
Hiroyuki Saitoh ◽  
Shigeyuki Takagi ◽  
Toyoto Sato ◽  
Shin-ichi Orimo

High-pressure hydrogenation behaviors of pure metals have not been investigated extensively, although intense research of hydrogenation reactions under high pressure has been conducted to find novel functional hydrides. The former provides us with valuable information for the high-pressure synthesis of novel functional hydrides. A pressure–temperature phase diagram of the Ta–H system has been determined using the in situ synchrotron radiation X-ray diffraction technique below 9 GPa and 600 °C in this study. At room temperature, the phase boundary obtained between distorted bcc TaH~1 and hcp TaH~2 was consistent with the previously reported transition pressure. The experimentally obtained Clapeyron slope can be explained via the entropy change caused by hydrogen evolution from TaH~2.


2017 ◽  
Vol 19 (33) ◽  
pp. 22061-22068 ◽  
Author(s):  
Cuiping Wang ◽  
Cong Li ◽  
Jiajia Han ◽  
Lihui Yan ◽  
Bin Deng ◽  
...  

We optimized the high pressure–temperature phase diagram of pure Co up to the liquidus temperature and 120 GPa, based on thermodynamic properties calculated using first-principles.


2013 ◽  
Vol 88 (9) ◽  
Author(s):  
Cevriye Koz ◽  
Sahana Rößler ◽  
Alexander A. Tsirlin ◽  
Steffen Wirth ◽  
Ulrich Schwarz

2007 ◽  
Vol 127 (19) ◽  
pp. 194701 ◽  
Author(s):  
Cristian E. Botez ◽  
Juan D. Hermosillo ◽  
Jianzhong Zhang ◽  
Jiang Qian ◽  
Yusheng Zhao ◽  
...  

2015 ◽  
Vol 91 (13) ◽  
Author(s):  
Agnès Dewaele ◽  
Vincent Stutzmann ◽  
Johann Bouchet ◽  
François Bottin ◽  
Florent Occelli ◽  
...  

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