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

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...

Szczegółowa specyfikacja

Zapisane w:

Opis bibliograficzny
Główni autorzy:	Sokolenko, E. V., Соколенко, Е. В., Slyusarev, G. V., Слюсарев, Г. В.
Format:	Статья
Język:	English
Wydane:	2023
Hasła przedmiotowe:	Density functional theory Raman spectroscopy Nanoclusters Scheelite
Dostęp online:	https://dspace.ncfu.ru/handle/20.500.12258/25799
Etykiety:	Dodaj etykietę Nie ma etykietki, Dołącz pierwszą etykiete!

id	ir-20.500.12258-25799
record_format	dspace
spelling	ir-20.500.12258-257992023-11-16T07:30:45Z Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation Sokolenko, E. V. Соколенко, Е. В. Slyusarev, G. V. Слюсарев, Г. В. Density functional theory Raman spectroscopy Nanoclusters Scheelite 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. 2023-11-16T07:28:58Z 2023-11-16T07:28:58Z 2023 Статья 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 http://hdl.handle.net/20.500.12258/25799 en Inorganic Materials application/pdf application/pdf
institution	СКФУ
collection	Репозиторий
language	English
topic	Density functional theory Raman spectroscopy Nanoclusters Scheelite
spellingShingle	Density functional theory Raman spectroscopy Nanoclusters Scheelite Sokolenko, E. V. Соколенко, Е. В. Slyusarev, G. V. Слюсарев, Г. В. Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
description	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.
format	Статья
author	Sokolenko, E. V. Соколенко, Е. В. Slyusarev, G. V. Слюсарев, Г. В.
author_facet	Sokolenko, E. V. Соколенко, Е. В. Slyusarev, G. V. Слюсарев, Г. В.
author_sort	Sokolenko, E. V.
title	Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
title_short	Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
title_full	Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
title_fullStr	Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
title_full_unstemmed	Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
title_sort	vibrational spectra of strontium bismuth molybdate: experiment and first principles calculation
publishDate	2023
url	https://dspace.ncfu.ru/handle/20.500.12258/25799
work_keys_str_mv	AT sokolenkoev vibrationalspectraofstrontiumbismuthmolybdateexperimentandfirstprinciplescalculation AT sokolenkoev vibrationalspectraofstrontiumbismuthmolybdateexperimentandfirstprinciplescalculation AT slyusarevgv vibrationalspectraofstrontiumbismuthmolybdateexperimentandfirstprinciplescalculation AT slûsarevgv vibrationalspectraofstrontiumbismuthmolybdateexperimentandfirstprinciplescalculation
_version_	1809808844479528960

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

Podobne zapisy