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Evolution of magnetic oxygen states in Sr-doped LaCoO 3

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dc.contributor.authorMedling, Scott
dc.contributor.authorLee, Y.
dc.contributor.authorZheng, H.
dc.contributor.authorMitchell, J.F.
dc.contributor.authorFreeland, J.W.
dc.contributor.authorHarmon, B.N.
dc.contributor.authorBridges, F.
dc.date.accessioned2015-12-10T23:16:21Z
dc.date.issued2012
dc.date.updated2016-02-24T09:55:58Z
dc.description.abstractMagnetism in La 1-xSr xCoO 3 as a function of doping is investigated with x-ray absorption spectroscopy and x-ray magnetic circular dicrhoism at the O K edge, and corresponding first principles electronic structure calculations. For small x, the spectra are consistent with the formation of ferromagnetic clusters occurring within a nonmagnetic insulating matrix. Sr-induced, magnetic O-hole states form just above E F and grow with increasing Sr doping. Density functional calculations for x=0 yield a nonmagnetic ground state with the observed rhombohedral distortion and indicates that doping introduces holes at the Fermi level in magnetic states with significant O 2p and Co t 2g character for the undistorted pseudocubic structure. Supercell calculations show stronger magnetism on oxygen atoms having more Sr neighbors.
dc.identifier.issn0031-9007
dc.identifier.urihttp://hdl.handle.net/1885/65019
dc.publisherAmerican Physical Society
dc.sourcePhysical Review Letters
dc.subjectKeywords: Ferromagnetic clusters; First principles electronic structure; Magnetic state; Nonmagnetic groundstates; Nonmagnetic insulating matrix; O K-edges; Oxygen atom; Pseudocubic structure; Rhombohedral distortion; Sr doping; Supercell calculations; Cobalt compo
dc.titleEvolution of magnetic oxygen states in Sr-doped LaCoO 3
dc.typeJournal article
local.bibliographicCitation.issue15
local.bibliographicCitation.lastpage5
local.bibliographicCitation.startpage1
local.contributor.affiliationMedling, Scott, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationLee, Y., Iowa State University
local.contributor.affiliationZheng, H., Argonne National Laboratory
local.contributor.affiliationMitchell, J.F., Argonne National Laboratory
local.contributor.affiliationFreeland, J.W., Argonne National Laboratory
local.contributor.affiliationHarmon, B.N., Iowa State University
local.contributor.affiliationBridges, F., University of California
local.contributor.authoruidMedling, Scott, u5434598
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor020406 - Surfaces and Structural Properties of Condensed Matter
local.identifier.absfor020404 - Electronic and Magnetic Properties of Condensed Matter; Superconductivity
local.identifier.absseo970102 - Expanding Knowledge in the Physical Sciences
local.identifier.ariespublicationU3488905xPUB1037
local.identifier.citationvolume109
local.identifier.doi10.1103/PhysRevLett.109.157204
local.identifier.scopusID2-s2.0-84867302480
local.identifier.thomsonID000309590300045
local.type.statusPublished Version

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