Репозиторий научных и учебно-методических публикаций
Северо-Кавказский федеральный университет
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https://dspace.ncfu.ru/handle/20.500.12258/25799| Title: | Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation |
| Authors: | Sokolenko, E. V. Соколенко, Е. В. Slyusarev, G. V. Слюсарев, Г. В. |
| Keywords: | Density functional theory;Raman spectroscopy;Nanoclusters;Scheelite |
| Issue Date: | 2023 |
| Citation: | Sokolenko, E.V., Buyanova, E.S., Mikhailovskaya, Z.A., Slyusarev, G.V. Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation // Inorganic Materials. - 2023. - Vol. 59. - No. 3. - pp. 294–300. - DOI: 10.1134/S0020168523030135 |
| Series/Report no.: | Inorganic Materials |
| 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. |
| URI: | http://hdl.handle.net/20.500.12258/25799 |
| Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| scopusresults 2792 .pdf Restricted Access | 132.98 kB | Adobe PDF | View/Open | |
| WoS 1726 .pdf Restricted Access | 114.09 kB | Adobe PDF | View/Open |
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