Structure, mechanical, electronic, and thermodynamic properties of marcasite-structure TMN2(TM = Ru, Rh, Os, and Ir) under high pressure: A first-principles study

2015 ◽  
Vol 253 (3) ◽  
pp. 527-537 ◽  
Author(s):  
Bing Dong ◽  
Ke Liu ◽  
Xiao-Lin Zhou ◽  
Jiao Tan ◽  
Xiao-Chun Mao ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermodynamic Properties ◽  
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 First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure

2013 ◽  
Vol 62 (10) ◽  
pp. 107402
Author(s):  
Yan Xiao-Zhen ◽  
Kuang Xiao-Yu ◽  
Mao Ai-Jie ◽  
Kuang Fang-Guang ◽  
Wang Zhen-Hua ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermodynamic Properties ◽  
First Principles ◽  
First Principles Study
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