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Electronic structure of Ni(II) centers in bismuth and thallium compounds

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Conclusions

From the results of our calculations, we can conclude that the replacement of copper by Ni(II) atoms in Bi2Sr2CuO6 or Tl2Ba2CuO6 produces a substantial change in the character of the filled and vacant states close to EF and hence in the conduction characteristics of the original systems. On the other hand, the interaction of Ni−O and Bi(Tl)−O layers is not strong enough to produce any substantial change of charge distribution in these layers when Cu is replaced by Ni.

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Authors
  1. S. P. Freidman
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  2. M. V. Ryzhkov
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  3. V. A. Gubanov
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Additional information

Institute of Solid-State Chemistry, Urals Branch, Russian Academy of Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 33., No. 4, pp. 23–27, July–August, 1992.

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Freidman, S.P., Ryzhkov, M.V. & Gubanov, V.A. Electronic structure of Ni(II) centers in bismuth and thallium compounds. J Struct Chem 33, 498–502 (1993). https://doi.org/10.1007/BF00746924

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  • DOI: https://doi.org/10.1007/BF00746924

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