Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry

Korotin, D. M.; Novoselov, D. Y.; Anisimov, V. I.

doi:10.1103/PhysRevB.107.094430

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Поле DC	Значение	Язык
dc.contributor.author	Korotin, D. M.	en
dc.contributor.author	Novoselov, D. Y.	en
dc.contributor.author	Anisimov, V. I.	en
dc.date.accessioned	2024-04-05T16:18:30Z	-
dc.date.available	2024-04-05T16:18:30Z	-
dc.date.issued	2023	-
dc.identifier.citation	Korotin, DM, Novoselov, DY & Anisimov, VI 2023, 'Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry', Physical Review B, Том. 107, № 9, 094430. https://doi.org/10.1103/PhysRevB.107.094430	harvard_pure
dc.identifier.citation	Korotin, D. M., Novoselov, D. Y., & Anisimov, V. I. (2023). Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry. Physical Review B, 107(9), [094430]. https://doi.org/10.1103/PhysRevB.107.094430	apa_pure
dc.identifier.issn	2469-9950	-
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-s2.0-85151286343&doi=10.1103%2fPhysRevB.107.094430&partnerID=40&md5=0733f1ca41de5835ac375fee3e2232f1	1
dc.identifier.other	https://arxiv.org/pdf/2301.00396	pdf
dc.identifier.uri	http://elar.urfu.ru/handle/10995/130320	-
dc.description.abstract	The copper fluoride Cu2F5 is a compound with two-dimensional (2D) magnetic exchange interactions between the Cu ions in the S=1 and S=12 spin states. Using ab initio calculations, we predict that the existence of 5% vacancies in the fluoride sublattice of Cu2F5 results in a drastic transformation of the spin state of all copper ions and the final spin states are S=12 and S=0. Consequently, the anisotropy of the magnetic interactions increases, and 1D linear chains of Cu d9, S=12 ions appear. We also propose a microscopic mechanism of such a transformation of the exchange interaction via CuO6 octahedra elongation. © 2023 American Physical Society.	en
dc.description.sponsorship	Russian Science Foundation, RSF: 19-12-00012	en
dc.description.sponsorship	Calculation of the ground state crystal structure for the doped was carried out within the state assignment of Ministry of Science and Higher Education of the Russian Federation (theme Electron No. 122021000039-4). Results on the spin-lattice evolution with doping were obtained with the support of the Russian Science Foundation (Project No. 19-12-00012).	en
dc.format.mimetype	application/pdf	en
dc.language.iso	en	en
dc.publisher	American Physical Society	en
dc.relation	info:eu-repo/grantAgreement/RSF//19-12-00012	en
dc.rights	info:eu-repo/semantics/openAccess	en
dc.source	Physical Review B	2
dc.source	Physical Review B	en
dc.subject	EXCHANGE INTERACTIONS	en
dc.subject	FLUORINE COMPOUNDS	en
dc.subject	HEAVY IONS	en
dc.subject	MAGNETIC ANISOTROPY	en
dc.subject	METAL IONS	en
dc.subject	SPIN DYNAMICS	en
dc.subject	AB INITIO CALCULATIONS	en
dc.subject	CU IONS	en
dc.subject	ELECTRON-DOPING	en
dc.subject	MAGNETIC EXCHANGE INTERACTIONS	en
dc.subject	MAGNETIC INTERACTIONS	en
dc.subject	NON-STOICHIOMETRY	en
dc.subject	ONE-DIMENSIONAL	en
dc.subject	SPIN STATE	en
dc.subject	SUB-LATTICES	en
dc.subject	TWO-DIMENSIONAL	en
dc.subject	COPPER COMPOUNDS	en
dc.title	Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry	en
dc.type	Article	en
dc.type	info:eu-repo/semantics/article	en
dc.type	\|info:eu-repo/semantics/submittedVersion	en
dc.identifier.doi	10.1103/PhysRevB.107.094430	-
dc.identifier.scopus	85151286343	-
local.contributor.employee	Korotin, D.M., M. N. Mikheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620137, Russian Federation	en
local.contributor.employee	Novoselov, D.Y., M. N. Mikheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620137, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation	en
local.contributor.employee	Anisimov, V.I., M. N. Mikheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620137, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation	en
local.issue	9	-
local.volume	107	-
dc.identifier.wos	000972740300002	-
local.contributor.department	M. N. Mikheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620137, Russian Federation	en
local.contributor.department	Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation	en
local.identifier.pure	37141634	-
local.description.order	094430	-
local.identifier.eid	2-s2.0-85151286343	-
local.fund.rsf	19-12-00012	-
local.identifier.wos	WOS:000972740300002	-
Располагается в коллекциях:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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