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[en] In this work, we report on calculations of the electronic channelling energy loss of hydrogen and helium ions along Si<1 0 0> and Si<1 1 0> axial directions for the low energy range by using the Monte Carlo simulation code. Simulated and experimental data are compared for protons and He ions in the <1 0 0> and <1 1 0> axis of silicon. A reasonable agreement was found. Computer simulation was also employed to study the angular dependence of energy loss for 0.5, 0.8, 1, and 2 MeV channelled 4He ions transmitted through a silicon crystal of 3 μm thickness along the <1 0 0> axis.
[en] The perovskite type oxide SrHfO had a huge scientist interest for the past few years thanks to its properties, which allowed it to be applied in different area, in our case we focused on the photovoltaic field application and it is known that this technology has been based on the use of semiconductors with a specific gap value since its birth, which indicates that the gap value is an important element who influences on the efficiency of panels. The aim of our work is based on reducing the gap value by applying different percentage of doping SrHfOS (x = 0%, 8% and 16%) and the determination of electronic and optical properties of all percentage of S using density functional theory (DFT). As a result we reduced the gap value from 5.60 eV corresponding to 0% of S to 2.09 eV corresponding to 16% of S and the band gap is changed from an indirect band gap equivalent to 0% of S to a direct band gap for 8% and 16% of S.
[en] Highlights: • We have studied the magnetocaloric effect of the metallic antiperovskite compound Mn3GaC. • We used the ab-initio calculations, the Monte Carlo simulations and mean field theory. • A second-order ferromagnetic-paramagnetic phase transition about TC ∼ 249 K. • The magnetic moment and the exchange coupling interactions are calculated. - Abstract: The structural, electronic, magnetic, and magnetocaloric properties of the metallic antiperovskite compound Mn3GaC were investigated using several theoretical methods such as: First principle calculations, Monte Carlo simulations and mean field theory. The metallic antiperovskite compound Mn3GaC exhibits a second-order ferromagnetic-paramagnetic phase transition around TC = 249 K. Using the first principle calculations, the magnetic moment and the exchange coupling interactions values are 1.37 μB and J1 = 35.78meV, J2 = 40.16meV, respectively. The total magnetization, the susceptibility and the specific heat of this compound are calculated. The critical temperature obtained is in good agreement with the experimental results. Obviously, the large MCE with no hysteresis loss is obtained around TC. The maximum values of the magnetic entropy change (ΔSmag), adiabatic temperature change (ΔTad) and the relative cooling power (RCP) are 13.41 J/kg.K, 15.96 K, 748 J/kg respectively, under applied an external magnetic field of h = 5.0 T.