Computational Condensed Matter
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scholarly journals First-principles studies of electronic structure, magnetic and optical properties of rare-earth (RE= Sm, Eu, Gd, and Er) doped ZnS

2022 ◽  
Vol 30 ◽  
pp. e00632
Author(s):  
H. Hedjar ◽  
S. Meskine ◽  
A. Boukortt ◽  
H. Bennacer ◽  
M.R. Benzidane
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Rare Earth ◽  
First Principles ◽  
Er Doped

scholarly journals Effects of nanostructures on the hydrogen storage properties of MgH2 - A first principles study

2022 ◽  
pp. e00643
Author(s):  
K. Iyakutti ◽  
V.J. Surya ◽  
R. Lavanya ◽  
V. Vasu ◽  
R. Rajeswarapalanichamy ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Hydrogen Storage Properties ◽  
First Principles Study ◽  
Storage Properties

scholarly journals Spin transport properties of boron nitride nanotubes: A DFT study

2022 ◽  
pp. e00636
Author(s):  
Sohrab Mohammadi ◽  
Mehdi Taghizadeh ◽  
Hasan Masoumi
Keyword(s):  
Boron Nitride ◽  
Transport Properties ◽  
Spin Transport ◽  
Boron Nitride Nanotubes ◽  
Dft Study

scholarly journals Influence of Nitrogen and Boron on the magnetization of nanoporous graphene : A first-principle investigation

2022 ◽  
pp. e00603
Author(s):  
D.H. Douma ◽  
L.T. Poaty ◽  
F.B.S. Nkou ◽  
P.S. Nianga-Obambi ◽  
A.T. Raji ◽  
...  
Keyword(s):  
First Principle ◽  
Nanoporous Graphene

scholarly journals First-principles study of structural, electronic, elastic, and optical properties of the tetragonal AInS2 (A=K, Rb, Cs) chalcogenides

2022 ◽  
pp. e00644
Author(s):  
M. Bouchenafa ◽  
Y. Bourourou ◽  
A. Khelefhoum ◽  
H. Boulebda ◽  
M. Fadla ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Study
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