Effects of Defects on Relaxation Behavior of Nd-Doped BCZT Ceramics

(Ba0.92−xCa0.08Ndx)(Ti0.82Zr0.18)O3 (0 ≤ x ≤ 0.02) were prepared through solid reaction route. The relaxor behavior of (Ba0.92-xCa0.08Ndx)(Ti0.82Zr0.18)O3 have been studied. When x = 0, a broad dielectric peak with frequency dispersion occurred, with increasing Nd3+ content, the relaxation and diffuseness degree was strengthened. Atomic computer simulation has been used to predict the energy for different defect associates [Nd•Ba + NdTi′] and [4Nd•Ba + VTi′′′′]. Local random field induced by such off-center Nd3+ ions and [Nd•Ba + NdTi′] and [4Nd•Ba + VTi′′′′] gives rise to the relaxor behavior.