Nature of electronic topological transition and superconductivity in bismuth under high pressure from ab initio random structure searching

2021 ◽  
Vol 200 ◽  
pp. 110806
Author(s):  
Wanaruk Chaimayo ◽  
Prutthipong Tsuppayakorn-aek ◽  
Prayoonsak Pluengphon ◽  
Komsilp Kotmool ◽  
Teerachote Pakornchote ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Random Structure ◽  
Topological Transition ◽  
Electronic Topological Transition

scholarly journals Electronic Topological Transition in Ag2Te at High-pressure

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Yuhang Zhang ◽  
Yan Li ◽  
Yanmei Ma ◽  
Yuwei Li ◽  
Guanghui Li ◽  
...  
Keyword(s):  
High Pressure ◽  
Topological Transition ◽  
Electronic Topological Transition

Electronic topological transition and semiconductor-to-metal conversion of Bi2Te3 under high pressure

2013 ◽  
Vol 103 (5) ◽  
pp. 052102 ◽  
Author(s):  
Junkai Zhang ◽  
Cailong Liu ◽  
Xin Zhang ◽  
Feng Ke ◽  
Yonghao Han ◽  
...  
Keyword(s):  
High Pressure ◽  
Topological Transition ◽  
Electronic Topological Transition

Ab initio calculations of the electronic topological transition in LiMg alloys

1992 ◽  
Vol 83 (11) ◽  
pp. 867-870 ◽  
Author(s):  
I.A. Abrikosov ◽  
Yu.H. Vekilov ◽  
P.A. Korzhavyi ◽  
A.V. Ruban ◽  
L.E. Shilkrot
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Mg Alloys ◽  
Topological Transition ◽  
Electronic Topological Transition

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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