Physics of the Solid State

, Volume 59, Issue 8, pp 1512–1519 | Cite as

An experimental and theoretical study of Ni impurity centers in Ba0.8Sr0.2TiO3

  • I. A. SluchinskayaEmail author
  • A. I. Lebedev


The local environment and the charge state of a nickel impurity in cubic Ba0.8Sr0.2TiO3 are studied by XAFS spectroscopy. According to the XANES data, the mean Ni charge state is ~2.5+. An analysis of the EXAFS spectra and their comparison with the results of first-principle calculations of the defect geometry suggest that Ni2+ ions are in a high-spin state at the B sites of the perovskite structure and the difference of charges of Ni2+ and Ti4+ is mainly compensated by distant oxygen vacancies. In addition, a considerable amount of nickel in the sample is in a second phase BaNiO3 − δ. 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 Ni4+ ions at the B site.


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© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  1. 1.Moscow State UniversityMoscowRussia

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