Lattice dynamics and thermodynamic properties of alkaline-earth metal carbides XC ( $$\hbox {X}=\hbox {Ca}$$ X = Ca , Sr and Ba) in the rocksalt structure: a first-principles study

2017 ◽  
Vol 16 (3) ◽  
pp. 526-534 ◽  
Author(s):  
Hadj Moulay Ahmed Mazouz ◽  
Amina Aiche ◽  
Bendouma Doumi ◽  
Abdelkader Tadjer
Keyword(s):  
Thermodynamic Properties ◽  
First Principles ◽  
Lattice Dynamics ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Carbides ◽  
First Principles Study ◽  
Rocksalt Structure

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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