scholarly journals High-pressure behavior ofCsC8graphite intercalation compound: Lattice structures and phase-transition mechanism

2008 ◽  
Vol 77 (12) ◽  
Author(s):  
N. Rey ◽  
P. Toulemonde ◽  
D. Machon ◽  
L. Duclaux ◽  
S. Le Floch ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Intercalation Compound ◽  
Lattice Structures ◽  
Pressure Behavior ◽  
Transition Mechanism

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
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Metal Oxides ◽  
Divalent Metal ◽  
Pressure Behavior

High-pressure behavior of MnGeO3 and CdGeO3 perovskites and the post-perovskite phase transition

2005 ◽  
Vol 32 (10) ◽  
pp. 721-725 ◽  
Author(s):  
Shigehiko Tateno ◽  
Kei Hirose ◽  
Nagayoshi Sata ◽  
Yasuo Ohishi
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Perovskite Phase ◽  
Pressure Behavior

High-pressure behavior of intermediate scapolite: compressibility, structure deformation and phase transition

2018 ◽  
Vol 45 (10) ◽  
pp. 945-962
Author(s):  
Paolo Lotti ◽  
Davide Comboni ◽  
Marco Merlini ◽  
Michael Hanfland
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structure Deformation ◽  
Pressure Behavior

High-pressure behavior andP-induced phase transition of CaB3O4(OH)3·H2O (colemanite)

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

scholarly journals Structural evolution and phase transition mechanism of $$\hbox {MoSe}_2$$ under high pressure

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Yifeng Xiao ◽  
Shi He ◽  
Mo Li ◽  
Weiguo Sun ◽  
Zhichao Wu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phonon Dispersion ◽  
Electronic Band Structure ◽  
Ambient Pressure ◽  
Structural Evolution ◽  
Ultrahigh Pressure ◽  
Ground State Structure ◽  
Electronic Band ◽  
Transition Mechanism

Abstract$$\hbox {MoSe}_2$$ MoSe 2 is a layered transition-metal dichalcogenide (TMD) with outstanding electronic and optical properties, which is widely used in field-effect transistor (FET). Here the structural evolution and phase transition of $$\hbox {MoSe}_2$$ MoSe 2 under high pressure are systematically studied by CALYPSO structural search method and first-principles calculations. The structural evolutions of $$\hbox {MoSe}_2$$ MoSe 2 show that the ground state structure under ambient pressure is the experimentally observed P6$$_3$$ 3 /mmc phase, which transfers to R3m phase at 1.9 GPa. The trigonal R3m phase of $$\hbox {MoSe}_2$$ MoSe 2 is stable up to 72.1 GPa, then, it transforms into a new P6$$_3$$ 3 /mmc phase with different atomic coordinates of Se atoms. This phase is extremely robust under ultrahigh pressure and finally changes to another trigonal R-3m phase under 491.1 GPa. The elastic constants and phonon dispersion curves indicate that the ambient pressure phase and three new high-pressure phases are all stable. The electronic band structure and projected density of states analyses reveal a pressure induced semiconducting to metallic transition under 72.1 GPa. These results offer a detailed structural evolution and phase diagram of $$\hbox {MoSe}_2$$ MoSe 2 under high pressure, which may also provide insights for exploration other TMDs under ultrahigh pressure.

Phase transition and high pressure behavior of Zirconium and Niobium carbides

Open Physics ◽  
2009 ◽  
Vol 7 (1) ◽  
Author(s):  
Archana Singh ◽  
Mahendra Aynyas ◽  
Sankar Sanyal
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Binary Systems ◽  
Niobium Carbide ◽  
Structural Phase ◽  
Theoretical Work ◽  
Metal Carbides ◽  
Structural Phase Transitions ◽  
Pressure Behavior ◽  
Phase Transition Pressure

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.

scholarly journals Orpiment under compression: metavalent bonding at high pressure

2020 ◽  
Vol 22 (6) ◽  
pp. 3352-3369 ◽  
Author(s):  
Vanesa Paula Cuenca-Gotor ◽  
Juan Ángel Sans ◽  
Oscar Gomis ◽  
Andres Mujica ◽  
Silvana Radescu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Strong Change ◽  
Isostructural Phase Transition

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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