First-principles study of structural phase transition, electronic, elastic and thermodynamic properties of C15-type Laves phase TiCr 2 under pressure

2018 ◽  
Vol 531 ◽  
pp. 79-84 ◽  
Author(s):  
Li-Zhi He ◽  
Jun Zhu ◽  
Lin Zhang
Keyword(s):  
Phase Transition ◽  
Thermodynamic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
Laves Phase ◽  
First Principles Study

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.

Structural phase transition and elastic properties of hafnium dihydride: A first principles study

2014 ◽  
Author(s):  
M. Santhosh ◽  
R. Rajeswarapalanichamy ◽  
S. Kanagaprabha ◽  
G. Sudhapriyanga ◽  
A. Murugan ◽  
...  
Keyword(s):  
Phase Transition ◽  
Elastic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
First Principles Study
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