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Study of the structural stability of LnNb x O y systems (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) by the X α method of discrete variation

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Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

The electronic structure and Ln-O (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) bonding parameters have been calculated by the X α method of discrete variation taking into account the real structure of LaNb7O12 oxoniobate. It is shown that the experimentally observed tendencies in the change in the oxoniobate stability correlate with the decrease in the average electron-proton binding energy of LnO8 clusters and enhanced repulsion between Ln and O orbitals to the end of the lanthanide series.

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russia

    E. I. Yurieva, O. G. Reznitskikh & V. G. Bamburov

Authors
  1. E. I. Yurieva
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  2. O. G. Reznitskikh
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  3. V. G. Bamburov
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Corresponding author

Correspondence to E. I. Yurieva.

Additional information

Original Russian Text © E.I. Yurieva, O.G. Reznitskikh, V.G. Bamburov, 2009, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2009, Vol. 73, No. 7, pp. 1066–1068.

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Yurieva, E.I., Reznitskikh, O.G. & Bamburov, V.G. Study of the structural stability of LnNb x O y systems (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) by the X α method of discrete variation. Bull. Russ. Acad. Sci. Phys. 73, 1010–1012 (2009). https://doi.org/10.3103/S1062873809070466

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  • DOI: https://doi.org/10.3103/S1062873809070466

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