Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3

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dc.contributor.authorRuiz Sabín, Eliseocat
dc.contributor.authorCano Boquera, Joancat
dc.contributor.authorÁlvarez, Santiago (Álvarez Reverter)cat
dc.contributor.authorAlemany i Cahner, Perecat
dc.contributor.authorVerdaguer, Michelcat
dc.date.accessioned2010-01-25T11:47:22Z
dc.date.available2010-01-25T11:47:22Z
dc.date.issued2000cat
dc.description.abstractA theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.eng
dc.format.extent4 p.cat
dc.format.mimetypeapplication/pdfeng
dc.identifier.idgrec151805ca
dc.identifier.issn0163-1829cat
dc.identifier.urihttps://hdl.handle.net/2445/10847
dc.language.isoengeng
dc.publisherThe American Physical Societyeng
dc.relation.isformatofReproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.61.54cat
dc.relation.ispartofPhysical Review B, 2000, vol. 61, núm. 1,p. 54-57eng
dc.relation.urihttp://dx.doi.org/10.1103/PhysRevB.61.54
dc.rights(c) The American Physical Society, 2000eng
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Ciència dels Materials i Química Física)
dc.subject.classificationTeoria del funcional de densitatcat
dc.subject.classificationMaterials magnèticscat
dc.subject.otherDensity functional theoryeng
dc.subject.otherMagnetic materialseng
dc.titleTheoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3eng
dc.typeinfo:eu-repo/semantics/articlecat
dc.typeinfo:eu-repo/semantics/publishedVersion

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