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dc.contributor.authorBoukhvalov, D. W.en
dc.contributor.authorGornostyrev, Y. N.en
dc.contributor.authorUimin, M. A.en
dc.contributor.authorKorolev, A. V.en
dc.contributor.authorYermakov, A. Y.en
dc.date.accessioned2021-08-31T15:03:31Z-
dc.date.available2021-08-31T15:03:31Z-
dc.date.issued2015-
dc.identifier.citationAtomic, electronic and magnetic structure of graphene/iron and nickel interfaces: Theory and experiment / D. W. Boukhvalov, Y. N. Gornostyrev, M. A. Uimin, et al. — DOI 10.1039/c4ra14165b // RSC Advances. — 2015. — Vol. 5. — Iss. 12. — P. 9173-9179.en
dc.identifier.issn20462069-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84921284152&doi=10.1039%2fc4ra14165b&partnerID=40&md5=47a27ff74088c9391b3d712a0f2b2128
dc.identifier.otherhttp://arxiv.org/pdf/1412.7291m
dc.identifier.urihttp://elar.urfu.ru/handle/10995/102411-
dc.description.abstractFirst-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms of the metallic substrates. The coverage of the iron surface by mono- and few-layer graphene induces significant changes in the orbital occupancies and exchange interactions between the layers in contrast to the case of a nickel substrate for which changes in the orbital ordering and exchange interactions are much smaller. Experimental measurements demonstrate the presence of ferromagnetic fcc-iron in Fe@C nanoparticles and the superparamagnetic behavior of Ni@C nanoparticles. © The Royal Society of Chemistry 2015.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceRSC Adv.2
dc.sourceRSC Advancesen
dc.subjectATOMSen
dc.subjectCALCULATIONSen
dc.subjectEXCHANGE INTERACTIONSen
dc.subjectIRONen
dc.subjectMAGNETIC MOMENTSen
dc.subjectMAGNETIC STRUCTUREen
dc.subjectNANOPARTICLESen
dc.subjectNICKELen
dc.subjectSUBSTRATESen
dc.subjectEFFECT OF CARBONSen
dc.subjectFEW-LAYER GRAPHENEen
dc.subjectFIRST-PRINCIPLES CALCULATIONen
dc.subjectINTER-ATOMIC DISTANCESen
dc.subjectMETALLIC SUBSTRATEen
dc.subjectNICKEL SUBSTRATESen
dc.subjectORBITAL OCCUPANCYen
dc.subjectSUPERPARAMAGNETIC BEHAVIORen
dc.subjectGRAPHENEen
dc.titleAtomic, electronic and magnetic structure of graphene/iron and nickel interfaces: Theory and experimenten
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1039/c4ra14165b-
dc.identifier.scopus84921284152-
local.contributor.employeeBoukhvalov, D.W., Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul, 133-791, South Korea, Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.contributor.employeeGornostyrev, Y.N., Institute of Quantum Materials Science, Ekaterinburg, 620175, Russian Federation, Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Ekaterinburg, 620041, Russian Federation
local.contributor.employeeUimin, M.A., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Ekaterinburg, 620041, Russian Federation
local.contributor.employeeKorolev, A.V., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Ekaterinburg, 620041, Russian Federation
local.contributor.employeeYermakov, A.Y., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, Ekaterinburg, 620041, Russian Federation
local.description.firstpage9173-
local.description.lastpage9179-
local.issue12-
local.volume5-
dc.identifier.wos000347721300082-
local.contributor.departmentDepartment of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul, 133-791, South Korea
local.contributor.departmentTheoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.contributor.departmentInstitute of Quantum Materials Science, Ekaterinburg, 620175, Russian Federation
local.contributor.departmentInstitute of Metal Physics, Russian Academy of Sciences-Ural Division, Ekaterinburg, 620041, Russian Federation
local.identifier.pure57ec1e58-08a1-4330-a398-0912e16a3138uuid
local.identifier.pure380592-
local.identifier.eid2-s2.0-84921284152-
local.identifier.wosWOS:000347721300082-
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