scholarly journals First-principles study of the thermodynamic stabilities and electronic structures of long-period stacking ordered phases in Mg-Y-Cu alloys

2016 ◽  
Vol 65 (23) ◽  
pp. 236101
Author(s):  
Ma Zhen-Ning ◽  
Zhou Quan ◽  
Wang Qing-Jie ◽  
Wang Xun ◽  
Wang Lei
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Long Period ◽  
First Principles Study ◽  
Cu Alloys ◽  
Ordered Phases

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.

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