Ab Initio Calculation of the Electronic Structure of a Solid Solution of Strontium-Bismuth Molybdat

Sokolenko, E. V.; Buyanova, E. S.; Mikhaylovskaya, Z. A.; Slusarev, G. V.

doi:10.1088/1742-6596/2094/2/022043

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Поле DC	Значение	Язык
dc.contributor.author	Sokolenko, E. V.	en
dc.contributor.author	Buyanova, E. S.	en
dc.contributor.author	Mikhaylovskaya, Z. A.	en
dc.contributor.author	Slusarev, G. V.	en
dc.date.accessioned	2022-05-12T08:27:12Z	-
dc.date.available	2022-05-12T08:27:12Z	-
dc.date.issued	2021	-
dc.identifier.citation	Ab Initio Calculation of the Electronic Structure of a Solid Solution of Strontium-Bismuth Molybdat / E. V. Sokolenko, E. S. Buyanova, Z. A. Mikhaylovskaya et al. // Journal of Physics: Conference Series. — 2021. — Vol. 2094. — Iss. 2. — 22043.	en
dc.identifier.issn	1742-6588	-
dc.identifier.other	All Open Access, Bronze	3
dc.identifier.uri	http://elar.urfu.ru/handle/10995/112019	-
dc.description.abstract	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 of the density of states in the vicinity of the forbidden zone are performed. The calculated values of the band gap width were compared with the values obtained from the reflection spectra. © 2021 Institute of Physics Publishing. All rights reserved.	en
dc.description.sponsorship	The work was carried out using the equipment of the Centre for Collective Use of the North Caucasus Federal University with the financial support of the Ministry of Education and Science of Russia, the unique identifier of the project RF-2296.61321X0043 (agreement No. 075-15-2021-672). The synthesis, certification and experimental determination of the functional characteristics of the materials was carried out with the support of the grant of the Russian Research Foundation 20-73-10048.	en
dc.format.mimetype	application/pdf	en
dc.language.iso	en	en
dc.publisher	IOP Publishing Ltd	en1
dc.publisher	IOP Publishing	en
dc.relation	info:eu-repo/grantAgreement/RSF//20-73-10048	en
dc.rights	info:eu-repo/semantics/openAccess	en
dc.source	J. Phys. Conf. Ser.	2
dc.source	Journal of Physics: Conference Series	en
dc.subject	BISMUTH	en
dc.subject	BISMUTH COMPOUNDS	en
dc.subject	CALCULATIONS	en
dc.subject	ELECTRONIC STRUCTURE	en
dc.subject	ENERGY GAP	en
dc.subject	MOLYBDENUM COMPOUNDS	en
dc.subject	STRONTIUM	en
dc.subject	TUNGSTATE MINERALS	en
dc.subject	AB INITIO CALCULATIONS	en
dc.subject	BAND GAP WIDTH	en
dc.subject	CALCULATED VALUES	en
dc.subject	CATIONIC VACANCY	en
dc.subject	DENSITIES OF STATE	en
dc.subject	ELECTRONIC.STRUCTURE	en
dc.subject	FIRST PRINCIPLE CALCULATIONS	en
dc.subject	REFLECTION SPECTRUM	en
dc.subject	STRUCTURAL DATA MODEL	en
dc.subject	STRONTIUM COMPOUNDS	en
dc.title	Ab Initio Calculation of the Electronic Structure of a Solid Solution of Strontium-Bismuth Molybdat	en
dc.type	Conference Paper	en
dc.type	info:eu-repo/semantics/conferenceObject	en
dc.type	info:eu-repo/semantics/publishedVersion	en
dc.conference.name	3rd International Scientific Conference on Applied Physics, Information Technologies and Engineering, APITECH-III 2021	en
dc.conference.date	24 September 2021 through 3 October 2021	-
dc.identifier.doi	10.1088/1742-6596/2094/2/022043	-
dc.identifier.scopus	85122010448	-
local.contributor.employee	Sokolenko, E.V., North Caucasian Federal University, 1, Pushkin str., Stavropol, 355009, Russian Federation; Buyanova, E.S., Ural Federal University, 87, Mira str., Ekaterinburg, 620002, Russian Federation; Mikhaylovskaya, Z.A., Institute of Geology and Geochemistry named after Academician A. N. Zavaritsky of the Ural Branch of the Russian Academy of Sciences, 7, Postal kane, Ekaterinburg, 620151, Russian Federation; Slusarev, G.V., North Caucasian Federal University, 1, Pushkin str., Stavropol, 355009, Russian Federation	en
local.issue	2	-
local.volume	2094	-
local.contributor.department	North Caucasian Federal University, 1, Pushkin str., Stavropol, 355009, Russian Federation; Ural Federal University, 87, Mira str., Ekaterinburg, 620002, Russian Federation; Institute of Geology and Geochemistry named after Academician A. N. Zavaritsky of the Ural Branch of the Russian Academy of Sciences, 7, Postal kane, Ekaterinburg, 620151, Russian Federation	en
local.identifier.pure	29213377	-
local.description.order	22043	-
local.identifier.eid	2-s2.0-85122010448	-
local.fund.rsf	20-73-10048	-
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