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Lattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystals

dc.creatorCriado Vega, Albertoes
dc.creatorConde Amiano, Alejandroes
dc.creatorMárquez Delgado, Rafaeles
dc.date.accessioned2017-12-13T15:22:21Z
dc.date.available2017-12-13T15:22:21Z
dc.date.issued1985
dc.identifier.citationCriado Vega, A., Conde Amiano, A. y Márquez, R. (1985). Lattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystals. Acta crystallographica. Section A, 41 (JUL), 316-320.
dc.identifier.issn0108-7673es
dc.identifier.urihttp://hdl.handle.net/11441/67611
dc.description.abstractA computer procedure has been developed to calculate second-order thermal diffuse scattering (TDS) intensity for molecular crystals from latticedynamical calculations with an atom-atom potential in the Born-von K~irmfin formalism. It is applied to monoclinic phenothiazine and different contributions to second-order TDS intensity, acoustic-acoustic, acoustic-optic and optic-optic, are compared. Calculations are also performed in the long-wave approximation allowing for dispersion (LWD) and correction factors of Bragg intensities due to TDS contribution in the LWD approximation are, generally but not always, lower than lattice-dynamical ones; the ratio between LWD and 'exact' factors ranges from 0.4 to 1.4 for reflections considered.es
dc.formatapplication/pdfes
dc.language.isoenges
dc.publisherInternational Union of Crystallographyes
dc.relation.ispartofActa crystallographica. Section A, 41 (JUL), 316-320.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleLattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystalses
dc.typeinfo:eu-repo/semantics/articlees
dcterms.identifierhttps://ror.org/03yxnpp24
dc.type.versioninfo:eu-repo/semantics/publishedVersiones
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.contributor.affiliationUniversidad de Sevilla. Departamento de Física de la Materia Condensadaes
dc.relation.publisherversionhttp://dx.doi.org/10.1107/S0108767385000691es
dc.identifier.doi10.1107/S0108767385000691es
idus.format.extent5 p.es
dc.journaltitleActa crystallographica. Section Aes
dc.publication.volumen41es
dc.publication.issueJULes
dc.publication.initialPage316es
dc.publication.endPage320es

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