Electronic Structure, Lattice Dynamics, and Superconducting Properties of Mercury-Alkaline Earth Metal Compounds: a First-Principles Study

2019 ◽  
Vol 32 (11) ◽  
pp. 3425-3430
Author(s):  
Harsha Pawar ◽  
Mahendra Aynyas ◽  
Mani Shugani ◽  
Sankar P. Sanyal
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Lattice Dynamics ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Superconducting Properties ◽  
Metal Compounds ◽  
First Principles Study

Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

2016 ◽  
Vol 180 ◽  
pp. 326-331 ◽  
Author(s):  
Yelda Kadioglu ◽  
Fatih Ersan ◽  
Gökhan Gökoğlu ◽  
Olcay Üzengi Aktürk ◽  
Ethem Aktürk
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
First Principles Study ◽  
Metal Atoms

scholarly journals Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN6, X = Ca, Sr and Ba): a first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (28) ◽  
pp. 17222-17228
Author(s):  
Zhipeng Liu ◽  
Shuli Wei ◽  
Yanhui Guo ◽  
Haiyang Sun ◽  
Hao Sun ◽  
...  
Keyword(s):  
Network Structure ◽  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Ring Network ◽  
First Principles Study ◽  
Polymeric Nitrogen

The Fddd-SrN6 structure can transform into P1̄-SrN6, and polymerized to infinite nitrogen chain structures at P = 22 GPa. For BaN6, the Fmmm-BaN6 structure can transform into C2/m-BaN6, and polymerized to N6 ring network structure at P = 110 GPa.

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