The crystal structure, chemical bonding, and magnetic properties of the intercalation compounds CrxZrTe2 (x = 0–0.3)

Shkvarin, A. S.; Titov, A. A.; Merentsov, A. I.; Shkvarina, E. G.; Postnikov, M. S.; Píš, I.; Nappini, S.; Agzamova, P. A.; Volegov, A. S.; Titov, A. N.

doi:10.1016/j.mseb.2021.115218

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Поле DC	Значение	Язык
dc.contributor.author	Shkvarin, A. S.	en
dc.contributor.author	Titov, A. A.	en
dc.contributor.author	Merentsov, A. I.	en
dc.contributor.author	Shkvarina, E. G.	en
dc.contributor.author	Postnikov, M. S.	en
dc.contributor.author	Píš, I.	en
dc.contributor.author	Nappini, S.	en
dc.contributor.author	Agzamova, P. A.	en
dc.contributor.author	Volegov, A. S.	en
dc.contributor.author	Titov, A. N.	en
dc.date.accessioned	2021-08-31T15:05:54Z	-
dc.date.available	2021-08-31T15:05:54Z	-
dc.date.issued	2021	-
dc.identifier.citation	The crystal structure, chemical bonding, and magnetic properties of the intercalation compounds CrxZrTe2 (x = 0–0.3) / A. S. Shkvarin, A. A. Titov, A. I. Merentsov, et al. — DOI 10.1016/j.mseb.2021.115218 // Materials Science and Engineering B: Solid-State Materials for Advanced Technology. — 2021. — Vol. 270. — 115218.	en
dc.identifier.issn	9215107	-
dc.identifier.other	Final	2
dc.identifier.other	All Open Access, Green	3
dc.identifier.other	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85107042116&doi=10.1016%2fj.mseb.2021.115218&partnerID=40&md5=f92cdf1b386d8e56a46a2cf254ec577d
dc.identifier.other	http://arxiv.org/pdf/2105.02332	m
dc.identifier.uri	http://elar.urfu.ru/handle/10995/102881	-
dc.description.abstract	New intercalation compounds CrxZrTe2 were synthesized in the Cr concentration range of x = 0–0.3. A thorough study of the crystal and electronic structure has been performed. It was found that there is competition in the distribution of the Cr atoms over the octa- and tetrahedral sites in the van der Waals gap, depending on the Cr content. The ordering of the Cr atoms was found at x ≥ 0.25; at the same time, the lattice symmetry decreases from trigonal P-3m1 to monoclinic F2/m. This ordering stabilizes the octahedral coordination of the Cr atoms by Te atoms. The analysis of the experimental data on the electronic structure and DOS calculations showed that the Cr 3d states are spin-split. However, these Cr states are still overlapped by non-spin-split Zr and Te states. © 2021 Elsevier B.V.	en
dc.description.sponsorship	The research was carried out within the state assignment of Minobrnauki of Russia (theme “Electron” No. AAAA-A18-118020190098-5, theme “Spin” No. AAAA-A18-118020290104-2 and theme “Quantum” No. AAAA-A18-118020190095-4) and with partial financial support of the RFBR (project 20-03-00275). This work has been done using facilities of the Shared Service Centre “Ural-M”, Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences. The sample synthesis were performed within the RSF grant (project No.17-73-10219). I.P., and S.N. acknowledge funding from EUROFEL project (RoadMap Esfri). This project has received funding from the EU-H2020 research and innovation program under grant agreement No 654360 having benefitted from the Access provided by IOM-CNR in Trieste (Italy) within the framework of the NFFA-Europe Transnational Access Activity. We thank Federica Bondino and Elena Magnano for the kind support and we acknowledge the Elettra Sincrotrone Trieste for providing access to its synchrotron radiation facilities.	en
dc.format.mimetype	application/pdf	en
dc.language.iso	en	en
dc.publisher	Elsevier Ltd	en
dc.relation	info:eu-repo/grantAgreement/RSF//17-73-10219	en
dc.rights	info:eu-repo/semantics/openAccess	en
dc.source	Mater Sci Eng B Solid State Adv Technol	2
dc.source	Materials Science and Engineering B: Solid-State Materials for Advanced Technology	en
dc.subject	CRYSTAL STRUCTURE	en
dc.subject	ELECTRONIC STRUCTURE	en
dc.subject	SPIN GLASS	en
dc.subject	SPIN POLARIZATION	en
dc.subject	TRANSITION METAL DICHALCOGENIDES	en
dc.title	The crystal structure, chemical bonding, and magnetic properties of the intercalation compounds CrxZrTe2 (x = 0–0.3)	en
dc.type	Article	en
dc.type	info:eu-repo/semantics/article	en
dc.type	info:eu-repo/semantics/publishedVersion	en
dc.identifier.rsi	46786146	-
dc.identifier.doi	10.1016/j.mseb.2021.115218	-
dc.identifier.scopus	85107042116	-
local.contributor.employee	Shkvarin, A.S., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Titov, A.A., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Merentsov, A.I., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Shkvarina, E.G., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Postnikov, M.S., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Píš, I., Elettra - Sincrotrone Trieste S.C.p.A., AREA Science Park Basovizza, S.S. 14 km 163.5, 34149Trieste, Italy, IOM-CNR, Laboratorio TASC, AREA Science Park Basovizza, S.S. 14-km 163.5, Trieste, 34149, Italy
local.contributor.employee	Nappini, S., IOM-CNR, Laboratorio TASC, AREA Science Park Basovizza, S.S. 14-km 163.5, Trieste, 34149, Italy
local.contributor.employee	Agzamova, P.A., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.employee	Volegov, A.S., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation, Ural Federal University, Yekaterinburg, 620089, Russian Federation
local.contributor.employee	Titov, A.N., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.volume	270	-
dc.identifier.wos	000663532300006	-
local.contributor.department	Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Yekaterinburg, 620990, Russian Federation
local.contributor.department	Elettra - Sincrotrone Trieste S.C.p.A., AREA Science Park Basovizza, S.S. 14 km 163.5, 34149Trieste, Italy
local.contributor.department	IOM-CNR, Laboratorio TASC, AREA Science Park Basovizza, S.S. 14-km 163.5, Trieste, 34149, Italy
local.contributor.department	Ural Federal University, Yekaterinburg, 620089, Russian Federation
local.identifier.pure	22101664	-
local.identifier.pure	b6f87ca1-72f8-42fd-86f2-9996b720fdc3	uuid
local.description.order	115218	-
local.identifier.eid	2-s2.0-85107042116	-
local.fund.cordis	654360	-
local.fund.rsf	17-73-10219	-
local.fund.rffi	20-03-00275	-
local.identifier.wos	WOS:000663532300006	-
Располагается в коллекциях:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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