Ab initio prediction of superconductivity in molecular metallic hydrogen under high pressure

2007 ◽  
Vol 141 (11) ◽  
pp. 610-614 ◽  
Author(s):  
Lijun Zhang ◽  
Yingli Niu ◽  
Quan Li ◽  
Tian Cui ◽  
Yi Wang ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Metallic Hydrogen ◽  
Ab Initio Prediction

scholarly journals Ab initio prediction of the high-pressure phase diagram of BaBiO3

2017 ◽  
Vol 96 (3) ◽  
Author(s):  
Andriy Smolyanyuk ◽  
Lilia Boeri ◽  
Cesare Franchini
Keyword(s):  
Phase Diagram ◽  
High Pressure ◽  
Ab Initio ◽  
High Pressure Phase ◽  
Ab Initio Prediction ◽  
Pressure Phase

Ab initio studies of superconductivity in monatomic metallic hydrogen under high pressure

2011 ◽  
Vol 375 (9) ◽  
pp. 1264-1268 ◽  
Author(s):  
Yan Yan ◽  
Jie Gong ◽  
Yanhui Liu
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Metallic Hydrogen

scholarly journals New high-pressure phases of Fe7N3 and Fe7C3 stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3577-3581 ◽  
Author(s):  
Nursultan Sagatov ◽  
Pavel N. Gavryushkin ◽  
Talgat M. Inerbaev ◽  
Konstantin D. Litasov
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ab Initio ◽  
Structure Prediction ◽  
Harmonic Approximation ◽  
Crystal Structure Prediction ◽  
Earth’S Core ◽  
Earth's Core ◽  
Core Conditions

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe7N3 and Fe7C3.

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