Elastic, electronic, chemical bonding and thermodynamic properties of the ternary nitride Ca4TiN4: Ab initio predictions

2019 ◽  
Vol 92 ◽  
pp. 74-85 ◽  
Author(s):  
S. Boucenna ◽  
K. Haddadi ◽  
A. Bouhemadou ◽  
L. Louail ◽  
F. Soyalp ◽  
...  
2021 ◽  
Vol 27 ◽  
pp. e00540
Author(s):  
Muhammad Nasir Rasul ◽  
Memoona Mehmood ◽  
Altaf Hussain ◽  
Alina Manzoor ◽  
Muhammad Azhar Khan ◽  
...  

2021 ◽  
pp. 114305
Author(s):  
A. Benamer ◽  
Y. Medkour ◽  
S.Sâad Essaoud ◽  
S. Chaddadi ◽  
A. Roumili

2016 ◽  
Vol 52 (9) ◽  
pp. 1820-1823 ◽  
Author(s):  
Alessandro Erba ◽  
Jefferson Maul ◽  
Bartolomeo Civalleri

A multifaceted ab initio theoretical framework is presented for computing the thermal (structural, elastic, thermodynamic) properties of molecular crystals.


Heliyon ◽  
2021 ◽  
pp. e07461
Author(s):  
G.F. Olinga Mbala ◽  
M.T. Ottou Abe ◽  
Z. Ntieche ◽  
G.W. Ejuh ◽  
J.M.B. Ndjaka

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