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Browsing by Author "BOUGUERRA Rahma, TRAIA Zahra"

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    Influence of Rare-earth metal doping on the electronic and magnetic properties of semiconductor
    (University of Echahid Cheikh Larbi Tébessi -Tébessa, 2025-06-11) BOUGUERRA Rahma, TRAIA Zahra
    This theoretical study investigates the influence of rare-earth (Gd, Tb, Eu) doping on the electronic and magnetic properties of zinc oxide (ZnO) using first-principles calcu- lations based on Density Functional Theory (DFT) implemented in the WIEN2k code. The modified Becke-Johnson (TB-mBJ) potential was employed to accurately predict electronic properties. Structural optimization revealed dopant-dependent lattice modi- fications, with Tb causing the most significant distortion. Electronic structure analysis showed band gap variations and Fermi level shifts characteristic of n-type semiconduc- tors. Magnetic properties calculations demonstrated that Gd and Tb doping induces substantial magnetic moments through their unpaired 4f electrons, with Tb-doped ZnO exhibiting partially half-metallic behavior. These findings provide fundamental insights for designing ZnO-based materials for spintronic and optoelectronic applications.