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dc.contributor.authorKorotin, D. M.en
dc.contributor.authorNovoselov, D. Y.en
dc.contributor.authorAnisimov, V. I.en
dc.contributor.authorOganov, A. R.en
dc.date.accessioned2022-05-12T08:17:53Z-
dc.date.available2022-05-12T08:17:53Z-
dc.date.issued2021-
dc.identifier.citationMixed Spin S = 1 and S = 12 Layered Lattice in Cu2 F5 / D. M. Korotin, D. Y. Novoselov, V. I. Anisimov et al. // Physical Review B. — 2021. — Vol. 104. — Iss. 6. — 064410.en
dc.identifier.issn2469-9950-
dc.identifier.otherAll Open Access, Green3
dc.identifier.urihttp://elar.urfu.ru/handle/10995/111435-
dc.description.abstractThe electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu2F5. Using the DFT+U calculation, it is shown that the compound is formed by two types of copper ions with d9 and d8 electronic configurations. We have found a very stable antiferromagnetic ordering with strong anisotropy of exchange interaction that results in the appearance of an unusual 2D-magnetism: within the (100)-plane the exchange between the S = 1 and S = 1/2 Cu ions has almost the same strength as between the two S = 1 ions. The interplane magnetic interaction is five times weaker than the in-plane one. © 2021 American Physical Society.en
dc.description.sponsorshipThe results presented were obtained with support of Russian Science Foundation (Project 19-12-00012).en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherAmerican Physical Societyen1
dc.publisherAmerican Physical Society (APS)en
dc.relationinfo:eu-repo/grantAgreement/RSF//19-12-00012en
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourcePhys. Rev. B2
dc.sourcePhysical Review Ben
dc.subjectCOPPER COMPOUNDSen
dc.subjectEXCHANGE INTERACTIONSen
dc.subjectHEAVY IONSen
dc.subjectMETAL IONSen
dc.subjectANTIFERROMAGNETIC ORDERINGSen
dc.subjectDFT + U CALCULATIONSen
dc.subjectELECTRONIC CONFIGURATIONen
dc.subjectHEISENBERG MODELSen
dc.subjectINTERACTION PARAMETERSen
dc.subjectLAYERED LATTICESen
dc.subjectMAGNETIC INTERACTIONSen
dc.subjectSTRONG ANISOTROPYen
dc.subjectANTIFERROMAGNETISMen
dc.titleMixed Spin S = 1 and S = 12 Layered Lattice in Cu2 F5en
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/submittedVersionen
dc.identifier.rsi46979200-
dc.identifier.doi10.1103/PhysRevB.104.064410-
dc.identifier.scopus85112081321-
local.contributor.employeeKorotin, D.M., M.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya St., Yekaterinburg, 620137, Russian Federation, Skolkovo Institute of Science and Technology, 30 Bolshoy Boulevard, bld.1, Moscow, 121205, Russian Federation; Novoselov, D.Y., M.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya St., Yekaterinburg, 620137, Russian Federation, Skolkovo Institute of Science and Technology, 30 Bolshoy Boulevard, bld.1, Moscow, 121205, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira St., Yekaterinburg, 620002, Russian Federation; Anisimov, V.I., M.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya St., Yekaterinburg, 620137, Russian Federation, Skolkovo Institute of Science and Technology, 30 Bolshoy Boulevard, bld.1, Moscow, 121205, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira St., Yekaterinburg, 620002, Russian Federation; Oganov, A.R., Skolkovo Institute of Science and Technology, 30 Bolshoy Boulevard, bld.1, Moscow, 121205, Russian Federationen
local.issue6-
local.volume104-
dc.identifier.wos000684125300003-
local.contributor.departmentM.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 18 S. Kovalevskaya St., Yekaterinburg, 620137, Russian Federation; Skolkovo Institute of Science and Technology, 30 Bolshoy Boulevard, bld.1, Moscow, 121205, Russian Federation; Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira St., Yekaterinburg, 620002, Russian Federationen
local.identifier.pure22982368-
local.description.order64410-
local.identifier.eid2-s2.0-85112081321-
local.fund.rsf19-12-00012-
local.identifier.wosWOS:000684125300003-
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