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Electronic structure of unconventional antimony chalcogenides: Theoretical calculations and121Sb Mössbauer spectroscopy

  • Part I Chemical Structure and Bonding
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Abstract

The electronic structure of five antimony compounds is investigated and the Sb Mössbauer isomer shift is calculated. Its value obtained from the full band structure calculation gives a quantitative account for the chemical notion of delocalization of the 5s(Sb) lone pair. A simple molecular description is also derived which relates the lone pair to the Sb local environment.

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References

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Authors and Affiliations

  1. Lab. Physique des Solides, ISEN, 41 Bd Vauban, 59046, Lille Cédex, France

    I. Lefebvre, G. Allan & M. Lannoo

  2. Lab. Physicochimie, USTL, Pl E. Bataillon, 34060, Montpellier Cédex, France

    J. Olivier-Fourcade, J. -C. Jumas & M. Maurin

Authors
  1. I. Lefebvre
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  2. G. Allan
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  3. M. Lannoo
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  4. J. Olivier-Fourcade
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  5. J. -C. Jumas
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  6. M. Maurin
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Lefebvre, I., Allan, G., Lannoo, M. et al. Electronic structure of unconventional antimony chalcogenides: Theoretical calculations and121Sb Mössbauer spectroscopy. Hyperfine Interact 53, 351–354 (1990). https://doi.org/10.1007/BF02101065

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  • DOI: https://doi.org/10.1007/BF02101065

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