Crystal structure, local structure, and defect structure of Pr-doped SrTiO$_3$

Details Crystal structure, local structure, and defect structure of Pr-doped SrTiO$_3$ Crystal structure, local structure, and defect structure of Pr-doped SrTiO$_3$

2012-03-14

arxiv.org/abs/1203.3066v1

Physics

Condensed Matter

Materials Science

6 pages, 4 figures, 1 table

Scientific paper

X-ray diffraction studies showed that the structure of (Sr$_{1-x}$Pr$_x$)TiO$_3$ solid solutions at 300 K changes from cubic $Pm3m$ to tetragonal $I4/mcm$ with increasing $x$. The analysis of XANES and EXAFS spectra of the solid solutions revealed that Pr ions are predominantly in 3+ oxidation state, they substitute for Sr atoms and are on-center regardless of the preparation conditions. Weak dependence of the lattice parameter in (Sr$_{1-x}$Pr$_x$)TiO$_3$ on Pr concentration was explained by competition between relaxation of the Sr--O bond length, which results from the difference in ionic radii of Sr and Pr ions, and repulsion of positively charged Pr$^{3+}$ and Ti$^{4+}$ ions. It was shown that the most important defects which maintain charge neutrality in crystals are charged Sr vacancies and SrO planar faults; Pr does not substitute for Sr sites in the planar faults.

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