Browsing by Author "Kadri, Asma"

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    Theoretical investigation of properties of semiconductors materials based rare earth
    (University of Oum El Bouaghi, 2021) Kadri, Asma; Bahlouli, Soumia; Hiadsi, Said
    In this work we present the structural, electronic, elastic and magnetic properties of semiconductors based rare earth nitrides ReN (Re=Sc, Y, Gd) in the three crystals cubic structures NaCl (B1), CsCl (B2), and ZB (B3), the properties have been determined by the first principle calculations based of the density function theory (DFT), using the WIEN2k simulation package. We have concluded that the rare earth nitrides ReN with (Re= Sc, Y, Gd) are semiconductors nature for the three compounds with direct bandgap 2.721eV for ScN, 3.044 eV for YN and 1.07eV for GdN compounds, at the normal conditions the rare earth nitrides are stable in the B1 structures, the results of magnetic properties showed that the two rare earth nitrides ScN and YN are nonmagnetic nature, in addition the GdN behave as ferromagnetic compound in rocksalt phase. The calculation of elastic constants proved that the compounds are mechanically stable. Our findings are in good agreement with the other experiments and theories results available.