scholarly journals Numerical prediction of structural stability and thermodynamic properties for MgF2 with fluorite- type structure under high pressure

2020 ◽  
Vol 69 (15) ◽  
pp. 156202
Author(s):  
Xiao-Wei Sun ◽  
Ting Song ◽  
Zi-Jiang Liu ◽  
Gui-Xin Wan ◽  
Lei Zhang ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermodynamic Properties ◽  
Structural Stability ◽  
Numerical Prediction ◽  
Type Structure ◽  
Fluorite Type

Structural stability and thermodynamic properties of BSb under high pressure and temperature

2018 ◽  
Vol 5 (8) ◽  
pp. 085904 ◽  
Author(s):  
Nadhira Bioud ◽  
Xiao-Wei Sun ◽  
Salah Daoud ◽  
Ting Song ◽  
Zi-Jiang Liu
Keyword(s):  
High Pressure ◽  
Thermodynamic Properties ◽  
Structural Stability ◽  
High Pressure And Temperature

First-Principles Investigations of Structural Stability of LuN

2013 ◽  
Vol 690-693 ◽  
pp. 559-563 ◽  
Author(s):  
Xiao Cui Yang ◽  
En Jie Zhang ◽  
Hong Yuan Ma ◽  
Jun Ping Xiao
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Stability ◽  
First Principles ◽  
Phonon Dispersion ◽  
Type Structure ◽  
First Principles Calculations ◽  
Phonon Dispersion Curves ◽  
Elevated Pressures ◽  
Cscl Type

An investigation on structural stability of LuN under high pressure has been conducted using first-principles calculations. At elevated pressures LuN is predicted to undergo a phase transition from NaCl-type structure (B1) into CsCl-type structure (B2). The predicted transition pressure is 220 GPa. The phonon dispersion curves of B1 and B2 at 0 and 220 GPa are presented.

Powder diffraction analysis of cerium dioxide at high pressure

1993 ◽  
Vol 8 (2) ◽  
pp. 127-129 ◽  
Author(s):  
L. Gerward ◽  
J. Staun Olsen
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Bulk Modulus ◽  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Cerium Dioxide ◽  
Low Pressure ◽  
Type Structure ◽  
Volume Contraction ◽  
Fluorite Type

CeO2 transforms to an orthorhombic PbCl2-type structure at a pressure of about 31 GPa. The phase transition is accompanied by a 9.8% volume contraction. The bulk modulus of the low-pressure fluorite-type structure is 236(4) GPa. Comparisons are made with the high-pressure behaviour of UO2 and ThO2.

High-pressure U3O8 with the fluorite-type structure

2014 ◽  
Vol 213 ◽  
pp. 110-115 ◽  
Author(s):  
F.X. Zhang ◽  
M. Lang ◽  
J.W. Wang ◽  
W.X. Li ◽  
K. Sun ◽  
...  
Keyword(s):  
High Pressure ◽  
Type Structure ◽  
Fluorite Type

ChemInform Abstract: High-Pressure U3O8with the Fluorite-Type Structure.

ChemInform ◽  
2014 ◽  
Vol 45 (21) ◽  
pp. no-no
Author(s):  
F. X. Zhang ◽  
M. Lang ◽  
J. W. Wang ◽  
W. X. Li ◽  
K. Sun ◽  
...  
Keyword(s):  
High Pressure ◽  
Type Structure ◽  
Fluorite Type

Formation of PbCl2-type AHF (A = Ca, Sr, Ba) with Partial Anion Order at High Pressure

2021 ◽  
Author(s):  
Yumi Tsuchiya ◽  
Zefeng Wei ◽  
Thibault Broux ◽  
Cédric Tassel ◽  
Hiroki Ubukata ◽  
...  
Keyword(s):  
High Pressure ◽  
Metal Hydride ◽  
Alkaline Earth ◽  
Ambient Pressure ◽  
Earth Metal ◽  
Type Structure ◽  
Alkaline Earth Metal ◽  
Fluorite Type

The high-pressure structures of alkaline earth metal hydride-fluorides AHF (A = Ca, Sr, Ba) were investigated up to 8 GPa. While AHF adopts the fluorite-type structure (Fm-3m) at ambient pressure...

Simulated equation of state of CaF2 with fluorite-type structure at high temperature and high pressure

2009 ◽  
Vol 404 (1) ◽  
pp. 158-162 ◽  
Author(s):  
X.W. Sun ◽  
Y.D. Chu ◽  
Z.J. Liu ◽  
Q.F. Chen ◽  
Q. Song ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Equation Of State ◽  
Type Structure ◽  
Fluorite Type
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