Magnetic properties of 3d-doped TiSe2 and TiTe2 intercalate compounds

DC ElementWertSprache
dc.contributor.authorPostnikov, AV
dc.contributor.authorNeumann, M
dc.contributor.authorPlogmann, S
dc.contributor.authorYarmoshenko, YM
dc.contributor.authorTitov, AN
dc.contributor.authorKuranov, AV
dc.date.accessioned2021-12-23T16:18:40Z-
dc.date.available2021-12-23T16:18:40Z-
dc.date.issued2000
dc.identifier.issn09270256
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/12797-
dc.descriptionSpring Meeting of the European-Materials-Research-Society, STRASBOURG, FRANCE, JUN 01-04, 1999
dc.description.abstractThe ground-state structures of Ti dichalcogenides are optimized from first principles using the full-potential linearized augmented-plane-wave method. The electronic structure and magnetization in several M1/3TiSe2 and M1/3TiTe2 (M = Cr, Mn, Fe) systems are studied in the supercell approach. Calculated exchange splitting of Cr2p(3/2) core level in Cr1/3TiSe2 agrees well with that observed by X-ray photoelectron spectroscopy; calculated local magnetic moments are consistent with the magnetic susceptibility data. An evidence is given in favour of localized polaron-type states being created in MxTiSe2 systems, that accounts for an observed correlation between structure distortion, magnetic moments, and electrical conductivity data. (C) 2000 Elsevier Science B.V. All rights reserved.
dc.language.isoen
dc.publisherELSEVIER
dc.relation.ispartofCOMPUTATIONAL MATERIALS SCIENCE
dc.subjectGENERALIZED GRADIENT APPROXIMATION
dc.subjectMaterials Science
dc.subjectMaterials Science, Multidisciplinary
dc.subjectTE
dc.subjectX = S
dc.titleMagnetic properties of 3d-doped TiSe2 and TiTe2 intercalate compounds
dc.typeconference paper
dc.identifier.doi10.1016/S0927-0256(00)00067-7
dc.identifier.isiISI:000088367300063
dc.description.volume17
dc.description.issue2-4
dc.description.startpage450
dc.description.endpage454
dc.contributor.orcid0000-0001-8971-2052
dc.contributor.orcid0000-0003-3636-2604
dc.contributor.researcheridE-9531-2011
dc.contributor.researcheridK-4328-2013
dc.identifier.eissn18790801
dc.publisher.placeRADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS
dcterms.isPartOf.abbreviationComput. Mater. Sci.
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