BOUGUERRA Rahma, TRAIA Zahra2025-09-212025-09-212025-06-11http//localhost:8080/jspui/handle/123456789/13117This 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.enZnO, rare-earth doping, DFT, electronic structure, magnetic properties, WIEN2kThesis