First-Principles Calculation of Solution Energy of Alkaline-Earth Metal Elements to BaTiO3

2007 ◽  
Vol 46 (10B) ◽  
pp. 7136-7140 ◽  
Author(s):  
Hiroki Moriwake ◽  
Tsukasa Hirayama ◽  
Yuichi Ikuhara ◽  
Isao Tanaka
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
First Principles Calculation ◽  
Alkaline Earth Metal ◽  
Metal Elements ◽  
Solution Energy

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
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