scholarly journals HIGH PRESSURE BEHAVIOR OF CRYSTALLINE DIHYDROXYLAMMONIUM 5,5'-BISTETRAZOLE- 1,1'-DIOLATE: FIRST-PRINCIPLES STUDY

Química Nova ◽  
2017 ◽  
Author(s):  
Guozheng Zhao ◽  
Xilin Yanc
Keyword(s):  
High Pressure ◽  
First Principles ◽  
Pressure Behavior ◽  
First Principles Study

scholarly journals First-principles study of ground-state properties and high pressure behavior of ThO2

2010 ◽  
Vol 399 (2-3) ◽  
pp. 181-188 ◽  
Author(s):  
Bao-Tian Wang ◽  
Hongliang Shi ◽  
Wei-Dong Li ◽  
Ping Zhang
Keyword(s):  
High Pressure ◽  
Ground State ◽  
First Principles ◽  
Pressure Behavior ◽  
First Principles Study ◽  
Ground State Properties

First-Principles Study of High-Pressure Behavior of Solid β-HMX

2010 ◽  
Vol 114 (2) ◽  
pp. 1082-1092 ◽  
Author(s):  
Hong-Ling Cui ◽  
Guang-Fu Ji ◽  
Xiang-Rong Chen ◽  
Wei-Hua Zhu ◽  
Feng Zhao ◽  
...  
Keyword(s):  
High Pressure ◽  
First Principles ◽  
Pressure Behavior ◽  
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.

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