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Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation

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Inorganic Materials Aims and scope

Abstract—

This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO4 clusters and clusters of Sr0.4Bi0.4MoO4, a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorporation and structural disorder in the clusters show up as additional scissoring vibrations of oxygens.

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ACKNOWLEDGMENTS

In this study, we used equipment at the Shared Research Facilities Center, North-Caucasus Federal University.

Funding

This work was supported by the Russian Federation Ministry of Science and Higher Education (unique project identifier no. RF–2296.61321X0043, agreement no. 075-15-2021-672). The synthesis of the materials, their characterization, and the experimental determination of their functional characteristics were supported by the Russian Science Foundation (grant no. 20-73-10048).

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Authors and Affiliations

  1. North-Caucasus Federal University, 355017, Stavropol, Russia

    E. V. Sokolenko & G. V. Slyusarev

  2. Yeltsin Federal University, 620002, Yekaterinburg, Russia

    E. S. Buyanova & Z. A. Mikhailovskaya

  3. Zavaritskii Institute of Geology and Geochemistry, Ural Branch, Russian Academy of Sciences, 620016, Yekaterinburg, Russia

    Z. A. Mikhailovskaya

Authors
  1. E. V. Sokolenko
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  2. E. S. Buyanova
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  3. Z. A. Mikhailovskaya
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  4. G. V. Slyusarev
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Correspondence to E. V. Sokolenko.

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Translated by O. Tsarev

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Sokolenko, E.V., Buyanova, E.S., Mikhailovskaya, Z.A. et al. Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation. Inorg Mater 59, 284–290 (2023). https://doi.org/10.1134/S0020168523030135

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  • DOI: https://doi.org/10.1134/S0020168523030135

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