• H Labrim

      Articles written in Bulletin of Materials Science

    • High temperature magnetic properties of nanocrystalline Sn0.95Co0.05O2

      O Mounkachi E Salmani M Boujnah H Labrim H El Moussaoui M Hamedoun A Benyoussef A El Kenz H Ez-Zahraouy R Masrour E K Hlil

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      Structural and magnetic properties of Sn0.95Co0.05O2 nanocrystalline and diluted magnetic semiconductors have been investigated. This sample has been synthesized by co-precipitation route. Study of magnetization hysteresis loop measurements infer that the sample of Sn0.95Co0.05O2 nanoparticle shows a well-defined hysteresis loop at 300 K temperature, which reflects its ferromagnetic behaviour. We confirmed the room-temperature intrinsic ferromagnetic (FM) semiconductors by ab initio calculation, using the theory of the functional of density (DFT) by employing the method of Korringa–Kohn–Rostoker (KKR) as well as coherent potential approximation (CPA, explain the disorder effect) to systems. The ferromagnetic state energy was calculated and compared with the local-moment-disordered (LMD) state energy for local density approximation (LDA) and LDA–SIC approximation. Mechanism of hybridization and interaction between magnetic ions in Sn0.95Co0.05O2 is also investigated. To explain the origin of ferromagnetic behaviour, we give information about total and atoms projected density of state functions.

    • First principle calculations for improving desorption temperature in Mg16H32 doped with Ca, Sr and Ba elements

      M Bhihi M Lakhal S Naji H Labrim A Belhaj A Benyoussef A Elkenz M Loulidi B Khalil O Mounkachi M Abdellaoui E K Hlil

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      Using ab initio calculations, we predict the improvement of the desorption temperature and the hydrogen storage properties of doped Mg-based hydrides such as,Mg15AMH32 (AM = Ca, Sr and Ba) as a super cell 2 × 2 × 2 of MgH2. In particular, the electronic structure has been obtained numerically using the all-electron full-potential local-orbital minimum-basis scheme FPLO9.00-34. Then, we discuss the formation energy calculations in terms of the material stabilities and the hydrogen storage thermodynamic properties improvements. Among others, we find that the stability and the temperature of desorption decrease without reducing significantly the high storage capacity of hydrogen. Moreover, it has been observed that such a doping procedure does not affect the electronic behavior as seen in MgH2, including the insulator state in contrast with the transition metal hydrides, which modify the electronic structure of pure MgH2.

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