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Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102212
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dc.contributor.authorShorikov, A. O.en
dc.contributor.authorGapontsev, V. V.en
dc.contributor.authorStreltsov, S. V.en
dc.contributor.authorAnisimov, V. I.en
dc.date.accessioned2021-08-31T15:02:31Z-
dc.date.available2021-08-31T15:02:31Z-
dc.date.issued2016-
dc.identifier.citationDoping induced spin state transition in LixCoO2 as studied by the GGA + DMFT calculations / A. O. Shorikov, V. V. Gapontsev, S. V. Streltsov, et al. — DOI 10.1134/S0021364016180028 // JETP Letters. — 2016. — Vol. 104. — Iss. 6. — P. 398-402.en
dc.identifier.issn213640-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84987643671&doi=10.1134%2fS0021364016180028&partnerID=40&md5=9b85bd5e81fe0ac18c967eb32f21de36
dc.identifier.otherhttp://arxiv.org/pdf/1608.01475m
dc.identifier.urihttp://hdl.handle.net/10995/102212-
dc.description.abstractThe magnetic properties of LixCoO2 for x = 0.94, 0.75, 0.66, and 0.51 are investigated within the method combining the generalized gradient approximation with dynamical mean field theory (GGA + DMFT). A delicate interplay between Hund’s exchange energy and t2g−eg crystal field splitting is found to be responsible for the high-spin to low-spin state transition for Co4+ ions. The GGA + DMFT calculations show that the Co4+ ions at a small doping level adopt the high-spin state, while delithiation leads to an increase in the crystal field splitting and low-spin state becomes preferable. The Co3+ ions are found to stay in the low-spin configuration for any x values. © 2016, Pleiades Publishing, Inc.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherMaik Nauka-Interperiodica Publishingen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceJETP Lett.2
dc.sourceJETP Lettersen
dc.titleDoping induced spin state transition in LixCoO2 as studied by the GGA + DMFT calculationsen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1134/S0021364016180028-
dc.identifier.scopus84987643671-
local.contributor.employeeShorikov, A.O., Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Ural Federal University, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeGapontsev, V.V., Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation
local.contributor.employeeStreltsov, S.V., Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Ural Federal University, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeAnisimov, V.I., Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Ural Federal University, Yekaterinburg, 620002, Russian Federation
local.description.firstpage398-
local.description.lastpage402-
local.issue6-
local.volume104-
local.contributor.departmentMikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation
local.contributor.departmentUral Federal University, Yekaterinburg, 620002, Russian Federation
local.identifier.pure1389420-
local.identifier.puref165f5c5-d468-4a62-a652-e3c5c802a8e7uuid
local.identifier.eid2-s2.0-84987643671-
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