Role of Gd-doping in conduction mechanism of BFO-PZO nanocrystalline composites: Experimental and first-principles studies

Modification of structural and dielectric properties of polycrystalline Gd-doped BFO–PZO

“…It may be noted that recently Rietveld refinement method (using Fullprof software) has been employed to confirm the phase structure of BFO-PZO samples. For instance, Ray et al have shown that the phase of the samples under consideration is Rhombohedral (R3c) 26. Thus, the rhombohedral unit cell was selected on the basis of good agreement between observed and calculated interplanar spacing d (where AE Δd ¼ d obs À d cal ¼ minimum) and lattice parameters of a specific unit cell were refined using the leastsquares sub-routine based on standard computer programFig.…”