Magnetic properties of 3d-doped TiSe2 and TiTe2 intercalate compounds
DC Element | Wert | Sprache |
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dc.contributor.author | Postnikov, AV | |
dc.contributor.author | Neumann, M | |
dc.contributor.author | Plogmann, S | |
dc.contributor.author | Yarmoshenko, YM | |
dc.contributor.author | Titov, AN | |
dc.contributor.author | Kuranov, AV | |
dc.date.accessioned | 2021-12-23T16:18:40Z | - |
dc.date.available | 2021-12-23T16:18:40Z | - |
dc.date.issued | 2000 | |
dc.identifier.issn | 09270256 | |
dc.identifier.uri | https://osnascholar.ub.uni-osnabrueck.de/handle/unios/12797 | - |
dc.description | Spring Meeting of the European-Materials-Research-Society, STRASBOURG, FRANCE, JUN 01-04, 1999 | |
dc.description.abstract | The 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.iso | en | |
dc.publisher | ELSEVIER | |
dc.relation.ispartof | COMPUTATIONAL MATERIALS SCIENCE | |
dc.subject | GENERALIZED GRADIENT APPROXIMATION | |
dc.subject | Materials Science | |
dc.subject | Materials Science, Multidisciplinary | |
dc.subject | TE | |
dc.subject | X = S | |
dc.title | Magnetic properties of 3d-doped TiSe2 and TiTe2 intercalate compounds | |
dc.type | conference paper | |
dc.identifier.doi | 10.1016/S0927-0256(00)00067-7 | |
dc.identifier.isi | ISI:000088367300063 | |
dc.description.volume | 17 | |
dc.description.issue | 2-4 | |
dc.description.startpage | 450 | |
dc.description.endpage | 454 | |
dc.contributor.orcid | 0000-0001-8971-2052 | |
dc.contributor.orcid | 0000-0003-3636-2604 | |
dc.contributor.researcherid | E-9531-2011 | |
dc.contributor.researcherid | K-4328-2013 | |
dc.identifier.eissn | 18790801 | |
dc.publisher.place | RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS | |
dcterms.isPartOf.abbreviation | Comput. Mater. Sci. |
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