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This article is cited in 5 scientific papers (total in 5 papers)
Dielectrics
An experimental and theoretical study of Ni impurity centers in Ba$_{0.8}$Sr$_{0.2}$TiO$_{3}$
I. A. Sluchinskaya, A. I. Lebedev Lomonosov Moscow State University
Abstract:
The local environment and the charge state of a nickel impurity in cubic Ba$_{0.8}$Sr$_{0.2}$TiO$_{3}$ are studied by XAFS spectroscopy. According to the XANES data, the mean Ni charge state is $\sim$2.5+. An analysis of the EXAFS spectra and their comparison with the results of first-principle calculations of the defect geometry suggest that Ni$^{2+}$ ions are in a high-spin state at the $B$ sites of the perovskite structure and the difference of charges of Ni$^{2+}$ and Ti$^{4+}$ is mainly compensated by distant oxygen vacancies. In addition, a considerable amount of nickel in the sample is in a second phase BaNiO$_{3-\delta}$. The measurements of the lattice parameter show a decrease in the unit cell volume upon doping, which can indicate the existence of a small amount of Ti$^{4+}$ ions at the $B$ site.
Received: 19.01.2017
Citation:
I. A. Sluchinskaya, A. I. Lebedev, “An experimental and theoretical study of Ni impurity centers in Ba$_{0.8}$Sr$_{0.2}$TiO$_{3}$”, Fizika Tverdogo Tela, 59:8 (2017), 1490–1497; Phys. Solid State, 59:8 (2017), 1512–1519
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https://www.mathnet.ru/eng/ftt9482 https://www.mathnet.ru/eng/ftt/v59/i8/p1490
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