Phase transition and high-pressure behavior of divalent metal oxides

1985 ◽  
Vol 31 (9) ◽  
pp. 6047-6057 ◽  
Author(s):  
K. N. Jog ◽  
R. K. Singh ◽  
S. P. Sanyal
2005 ◽  
Vol 32 (10) ◽  
pp. 721-725 ◽  
Author(s):  
Shigehiko Tateno ◽  
Kei Hirose ◽  
Nagayoshi Sata ◽  
Yasuo Ohishi

2018 ◽  
Vol 45 (10) ◽  
pp. 945-962
Author(s):  
Paolo Lotti ◽  
Davide Comboni ◽  
Marco Merlini ◽  
Michael Hanfland

2017 ◽  
Vol 100 (5) ◽  
pp. 2209-2220 ◽  
Author(s):  
Paolo Lotti ◽  
Giacomo Diego Gatta ◽  
Davide Comboni ◽  
Giorgio Guastella ◽  
Marco Merlini ◽  
...  

Open Physics ◽  
2009 ◽  
Vol 7 (1) ◽  
Author(s):  
Archana Singh ◽  
Mahendra Aynyas ◽  
Sankar Sanyal

AbstractWe have predicted the phase transition pressure (PT)and high pressure behavior of Zirconium and Niobium carbide (ZrC, NbC). The high pressure structural phase transitions in ZrC and NbC has been studied by using a two body inter-ionic potential model, which includes the Coulomb screening effect, due to the semi-metallic nature of these compounds. These transition metal carbides have been found to undergo NaCl (B1) to CsCl (B2)-type structural phase transition, at high pressure like other binary systems. We predict such structural transformation in ZrC and NbC at a pressure of 98GPa and 85GPa respectively. We have also predicted second order elastic constant and bulk modulus. The present theoretical work has been compared with the corresponding experimental data and prediction of LAPW and GGA and LDA theories.


2020 ◽  
Vol 22 (6) ◽  
pp. 3352-3369 ◽  
Author(s):  
Vanesa Paula Cuenca-Gotor ◽  
Juan Ángel Sans ◽  
Oscar Gomis ◽  
Andres Mujica ◽  
Silvana Radescu ◽  
...  

Orpiment (α-As2S3) under compression reports a strong change in the coordination of As atoms at 25 GPa, which can be ascribed to an isostructural phase transition. These changes are consistent with the formation of metavalent bonds in orpiment.


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