Synthesizing Metastable Rocksalt-Type MgTe Based on High-Pressure Solid-State Phase Transition: A First-Principles Study

2009 ◽  
Vol 26 (11) ◽  
pp. 113101 ◽  
Author(s):  
Cai Ying-Xiang ◽  
Xu Rui
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Solid State ◽  
First Principles ◽  
First Principles Study

scholarly journals Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3058-3070
Author(s):  
Yu Zhou ◽  
Lan-Ting Shi ◽  
A-Kun Liang ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Thermodynamic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Pressure Range ◽  
Mechanical Stability ◽  
First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

scholarly journals High-pressure formation of antimony nitrides: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 2448-2452
Author(s):  
Lili Lian ◽  
Yan Liu ◽  
Da Li ◽  
Shuli Wei
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
First Principles Study ◽  
Bonding Properties ◽  
First Principles Method

The structural phase transition, electronic properties, and bonding properties of antimony nitrides have been studied by using a first principles method.

Compression mechanism of cubic silica sodalite [Si12O24]: a first principles study of the Im3̅m to I4̅3m phase transition

2001 ◽  
Vol 216 (9) ◽  
Author(s):  
K. Knorr ◽  
B. Winkler ◽  
V. Milman
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
First Principles ◽  
First Principles Study ◽  
Compression Mechanism

AbstractThe high pressure behaviour of cubic silica sodalite has been investigated by

First-principles study of phase transition of tin and lead under high pressure

2008 ◽  
Vol 245 (1) ◽  
pp. 53-57 ◽  
Author(s):  
Shouxin Cui ◽  
Lingcang Cai ◽  
Wenxia Feng ◽  
Haiquan Hu ◽  
Changzheng Wang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
First Principles ◽  
First Principles Study

First-principles study of the high pressure phase transition and lattice dynamics of cerium

2011 ◽  
Vol 406 (3) ◽  
pp. 669-675 ◽  
Author(s):  
Cui-E Hu ◽  
Zhao-Yi Zeng ◽  
Lin Zhang ◽  
Xiang-Rong Chen ◽  
Ling-Cang Cai
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
First Principles ◽  
Lattice Dynamics ◽  
High Pressure Phase ◽  
First Principles Study ◽  
High Pressure Phase Transition ◽  
Pressure Phase
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