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Atomic level structure of Ge-Sb-S glasses : chemical short range order and long Sb-S bonds

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bul.description.provenanceec spbfr
bul.rights.dateAccepPubl2018-09-28fr
bul.rights.periodeEmbargoP0Mfr
bul.rights.typeDatedatePublicationfr
dc.contributor.authorPethes, Ildikó
dc.contributor.authorAri, Julien
dc.contributor.authorNazabal, Virginie
dc.contributor.authorMessaddeq, Younès
dc.contributor.authorKaban, Ivan
dc.contributor.authorDarpentigny, Jacques
dc.contributor.authorWelter, Edmund
dc.contributor.authorGutowski, Olof
dc.contributor.authorBureau, Bruno
dc.contributor.authorJóvári, Pál
dc.date.accessioned2020-07-23T19:09:44Z
dc.date.available2020-07-23T19:09:44Z
dc.date.issued2018-09-28
dc.description.abstractThe structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3–0.4 Å longer bond distance than the usually accepted covalent bond length (∼2.45 Å). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.fr
dc.identifier.arxiv1806.07852fr
dc.identifier.doi10.1016/j.jallcom.2018.09.334fr
dc.identifier.issn0925-8388fr
dc.identifier.urihttp://hdl.handle.net/20.500.11794/39840
dc.languageengfr
dc.publisherElsevier Sciencefr
dc.rightshttp://purl.org/coar/access_right/c_abf2
dc.subjectChalcogenide glassesfr
dc.subjectGe-Sb-Sfr
dc.subjectStructurefr
dc.subjectDiffractionfr
dc.subjectEXAFSfr
dc.subjectRMCfr
dc.subject.rvmChalcogénuresfr
dc.subject.rvmGermaniumfr
dc.subject.rvmAntimoinefr
dc.subject.rvmVerrefr
dc.subject.rvmDiffractionfr
dc.subject.rvmSpectrométrie EXAFSfr
dc.subject.rvmStructure atomiquefr
dc.titleAtomic level structure of Ge-Sb-S glasses : chemical short range order and long Sb-S bondsfr
dc.typearticle de recherche
dc.type.legacyCOAR1_1::Texte::Périodique::Revue::Contribution à un journal::Article::Article de recherchefr
dcterms.bibliographicCitationJournal of alloys and compounds, Vol. 774, 1009-1016 (2019)fr
dspace.accessstatus.time2023-01-28 18:02:00
dspace.entity.typePublication
relation.isAuthorOfPublication63f146dd-db9d-46cf-b110-eb652cacad67
relation.isAuthorOfPublicationca043836-229d-4238-a36c-c79fae5e4da9
relation.isAuthorOfPublication.latestForDiscovery63f146dd-db9d-46cf-b110-eb652cacad67
relation.isResourceTypeOfPublication4c433ef5-3937-4530-8252-cca17d715747
relation.isResourceTypeOfPublication.latestForDiscovery4c433ef5-3937-4530-8252-cca17d715747
rioxxterms.projectNo.16-17921S; No. SNN 116198fr
rioxxterms.project.funder-nameGrantová Agentura České Republikyfr
rioxxterms.project.funder-nameNKFIH, National Research, Development and Innovation Officefr
rioxxterms.versionAMfr
rioxxterms.version-of-recordhttps://doi.org/10.1016/j.jallcom.2018.09.334fr
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