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Ab initio calculation of the electronic structure of a solid solution of strontium-bismuth molybdat

Scheelite-like compounds based on SrMoO4 have been studied. Based on X–ray structural data, models of Sr1-3xBi2xMoO4 structures (x=0.2125) are constructed, at x≥0.175, a superstructural ordering is observed associated with the location of cationic vacancies. From the first principles, calculations o...

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Bibliographic Details
Main Authors: Slyusarev, G. V., Слюсарев, Г. В.
Format: Статья
Language:English
Published: IOP Publishing Ltd 2022
Subjects:
Online Access:https://dspace.ncfu.ru/handle/20.500.12258/18578
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