Effect of metal dopant on structural and magnetic properties of ZnO nanoparticles

Zn1-xRxO (R = Li, Mg, Cr, Mn, Fe and Cd) were obtained by using co-precipitation synthesis technique with constant weight percent of 3% from R ions. The phase composition, crystal structure, morphology, density functional theory (DFT), magnetic properties examined to comprehend the influence Zn2+ partial substitution X-ray diffraction shows that ZnO lattice parameters slightly affected doping doped sample crystallinity is enhanced. Our results show introducing Mn along Mg into induces a clear moment without any apparent distortion in structural morphology. spatial configuration dopant atoms determined first-principles calculations, giving better understanding position atom responsible for magnetism. moments our calculations are 3.67, 5.0, 4.33 μB per Fe, respectively, which agree experimental values. While Cr tend form clusters, has more propensity remain evenly distributed within system, avoiding cluster-derived