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dc.contributor.authorShorikov, A. O.en
dc.contributor.authorPoteryaev, A. I.en
dc.contributor.authorAnisimov, V. I.en
dc.contributor.authorStreltsov, S. V.en
dc.date.accessioned2021-08-31T15:00:34Z-
dc.date.available2021-08-31T15:00:34Z-
dc.date.issued2018-
dc.identifier.citationHydrogenation-driven formation of local magnetic moments in FeO2 Hx / A. O. Shorikov, A. I. Poteryaev, V. I. Anisimov, et al. — DOI 10.1103/PhysRevB.98.165145 // Physical Review B. — 2018. — Vol. 98. — Iss. 16. — 165145.en
dc.identifier.issn24699950-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85056277507&doi=10.1103%2fPhysRevB.98.165145&partnerID=40&md5=8aff0dbd378bedba91aea848500846a9
dc.identifier.otherhttp://arxiv.org/pdf/1803.04255m
dc.identifier.urihttp://elar.urfu.ru/handle/10995/101913-
dc.description.abstractThe electronic and magnetic properties of recently discovered important constituent of the earth's lower mantle FeO2H was investigated by means of the density functional theory combined with the dynamical mean-field theory. The addition of hydrogen to the parent FeO2 compound, which is an uncorrelated bad metal, destroys the most important ingredient of its electronic structure, namely O-O molecular orbitals. In effect, the physical properties of FeO2 and FeO2H turn out to be completely different, FeO2H is a correlated metal with a mass renormalization (m∗/m∼1.7), and the magnetic moments on Fe ions become localized with the Curie-Weiss type of uniform magnetic susceptibility. © 2018 American Physical Society.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourcePhys. Rev. B2
dc.sourcePhysical Review Ben
dc.titleHydrogenation-driven formation of local magnetic moments in FeO2 Hxen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.rsi38638006-
dc.identifier.doi10.1103/PhysRevB.98.165145-
dc.identifier.scopus85056277507-
local.contributor.employeeShorikov, A.O., M. N. Miheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira St. 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeePoteryaev, A.I., M. N. Miheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation
local.contributor.employeeAnisimov, V.I., M. N. Miheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira St. 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeStreltsov, S.V., M. N. Miheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira St. 19, Yekaterinburg, 620002, Russian Federation
local.issue16-
local.volume98-
dc.identifier.wos000448596500006-
local.contributor.departmentM. N. Miheev Institute of Metal Physics of Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation
local.contributor.departmentDepartment of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira St. 19, Yekaterinburg, 620002, Russian Federation
local.identifier.pure70405a08-c2a9-4dcc-ac43-5b117bac0f9euuid
local.identifier.pure8335205-
local.description.order165145-
local.identifier.eid2-s2.0-85056277507-
local.identifier.wosWOS:000448596500006-
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