Ab initio study of germanium-hydride compounds under high pressure

RSC Advances ◽  
2015 ◽  
Vol 5 (25) ◽  
pp. 19432-19438 ◽  
Author(s):  
PuGeng Hou ◽  
FuBo Tian ◽  
Da Li ◽  
ZhongLong Zhao ◽  
DeFang Duan ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
High Pressure ◽  
Phase Transitions ◽  
High Temperature ◽  
Ab Initio ◽  
High Temperature Superconductivity ◽  
Ab Initio Study

Motivated by the potential high-temperature superconductivity in hydrogen-rich materials and phase transitions, germanium-hydride compounds under high pressure were studied by a genetic algorithm.

Prediction of superconducting ternary hydride MgGeH6: from divergent high-pressure formation routes

2017 ◽  
Vol 19 (40) ◽  
pp. 27406-27412 ◽  
Author(s):  
Yanbin Ma ◽  
Defang Duan ◽  
Ziji Shao ◽  
Da Li ◽  
Liyuan Wang ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Ab Initio ◽  
Phase Diagrams ◽  
High Temperature Superconductivity ◽  
High Pressure Phase ◽  
Pressure Phase

Invigorated by the high temperature superconductivity in some binary hydrogen-dominated compounds, we systematically explored high-pressure phase diagrams and superconductivity of a ternary Mg–Ge–H system usingab initiomethods.

Ab initio study of acoustic velocities in molybdenum under high pressure and high temperature

2011 ◽  
Vol 99 (19) ◽  
pp. 191906 ◽  
Author(s):  
Zhao-Yi Zeng ◽  
Cui-E Hu ◽  
Xun Liu ◽  
Ling-Cang Cai ◽  
Fu-Qian Jing
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Acoustic Velocities

Magnetic anisotropy on demand exploiting high-pressure as remote control: an ab initio proof-of-concept

2021 ◽  
Author(s):  
Matteo Briganti ◽  
Federico Totti
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Remote Control ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Boiling Temperature ◽  
Proof Of Concept ◽  
Single Molecule Magnets ◽  
On Demand

Lanthanide based single molecule magnets have recently become very promising systems for creating single molecule device working at high temperature (nitrogen boiling temperature). However, the variation of direction of the...

Ab initio study of MgSiO3 low-clinoenstatite at high pressure

2001 ◽  
Vol 86 (5-6) ◽  
pp. 762-766 ◽  
Author(s):  
Wenhui Duan ◽  
Bijaya B. Karki ◽  
Renata M. Wentzcovitch ◽  
B.L. Gu
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Ab Initio Study
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