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cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…