The Use of Fourier Synthesis and Maximum Entropy Method to Investigate Crystalline Defects of the T’-Pr_2-<i>_x</i>Ce<i>_x</i>CuO₄ Nanocrystals

Abstract

In this study, the use of the Fourier synthesis and the so-called Maximum Entropy Method (MEM) are evaluated in order to reveal the crystalline defect of the T’-type structure of one of 214 cuprate system, namely Pr2-xCexCuO4 (PCCO) powders. In the low-level density, the MEM calculations give a clear picture of the scattering and can eliminate the secondary scattering which may bother the main electron distribution of the specific atomic site. The covalent-bond is even clearer to be seen rather than the one obtained by the Fourier synthesis. This brings a further suggestion to use the MEM calculations in case of describing the scattering density of electron. Moreover, by means the used of the MEM calculations, the defect induced magnetism including the role of the tetravalent ionic doping and the annealing reduction effect is briefly discussed in this report.