4 papers
First-Principles Investigation of X2NiH6 (X = Ca, Sr, Ba) Hydrides for Hydrogen Storage Applications
K. Aafi, Z. El Fatouaki, A. Jabar +2
First-principles DFT calculations on the hydrides Ca2NiH6, Sr2NiH6, and Ba2NiH6 reveal key thermodynamic properties. These compounds exhibit increasing entropy and heat capacity wi…
Study of the structural and electronic properties of the Heusler Co2FeGe alloy by DFT approach
A. Jamraoui, Y. Selmani, A. Jabar +1
In this work we reported the structural and electronic properties of the Heusler compound Co2FeGe using the AKAI-KKR code under the GGA approximation. We established that this mate…
Magnetic and Magnetocaloric Properties of a C Fullerene Structure: Monte Carlo Study
A. Jabar, S. Benyoussef, L. Bahmad
One of the most active classes of nanostructures is Fullerene C, which has been exploited as an active component in significant applications. In this investigation, we used…
Physical Properties of the Sodium-Based Cubic Fluoro-Perovskites: NaBF (B= Ca, Mg or Zn): DFT and TDDFT Studies
S. Idrissi, A. Jabar, H. Labrim +2
In the present work, we study the structural, electronic and optical properties of Sodium Based Cubic Fluoro-perovskites: NaBF (B= Ca, Mg or Zn) using DFT and TDDFT methods. We…