First principles study of the optical properties of alkaline-earth metal nitrides

2010 ◽  
Vol 49 (2) ◽  
pp. 400-406 ◽  
Author(s):  
M. Dadsetani ◽  
R. Beiranvand
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Nitrides ◽  
First Principles Study

Half metallic ferromagnetism in alkaline-earth metal nitrides XN (X=Ca, Sr and Ba): A first principles study

2013 ◽  
Vol 346 ◽  
pp. 26-37 ◽  
Author(s):  
R. Rajeswara Palanichamy ◽  
G. Sudha Priyanga ◽  
A. Jemmy Cinthia ◽  
A. Murugan ◽  
A.T. Asvini Meenaatci ◽  
...  
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Nitrides ◽  
Half Metallic ◽  
First Principles Study ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

scholarly journals Manipulating intrinsic behaviors of graphene by substituting alkaline earth metal atoms in its structure

RSC Advances ◽  
2017 ◽  
Vol 7 (27) ◽  
pp. 16360-16370 ◽  
Author(s):  
Muhammad Rafique ◽  
Yong Shuai ◽  
He-Ping Tan ◽  
Muhammad Hassan
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Monolayer Graphene ◽  
Alkaline Earth Metal ◽  
First Principles Calculations ◽  
Metal Atoms

In this paper, the structural, electronic, magnetic and optical properties of alkaline earth metal (AEM) atom-doped monolayer graphene are investigated using first-principles calculations.

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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