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hal.structure.identifierLaboratoire de chimie de coordination [LCC]
dc.contributor.authorGUILLON, Thomas
hal.structure.identifierLaboratoire de chimie de coordination [LCC]
hal.structure.identifierLaboratoire Physique des Solides de Toulouse
dc.contributor.authorBONHOMMEAU, Sébastien
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCOSTA, José Sánchez
hal.structure.identifierLaboratoire Physique des Solides de Toulouse
dc.contributor.authorZWICK, Antoine
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLÉTARD, Jean-François
hal.structure.identifierCentre interuniversitaire de recherche et d'ingénierie des matériaux [CIRIMAT]
dc.contributor.authorDEMONT, Philippe
hal.structure.identifierLaboratoire de chimie de coordination [LCC]
dc.contributor.authorMOLNÁR, Gábor
hal.structure.identifierLaboratoire de chimie de coordination [LCC]
dc.contributor.authorBOUSSEKSOU, Azzedine
dc.date.issued2006
dc.identifier.issn0031-8965
dc.description.abstractEnThe thermal variation of the dielectric constant in the spin crossover complex [Fe(bpp)2] [BF4]2 displays a 16 K large hysteresis loop centered around 178 K corresponding to the spin transition temperatures. Unexpectedly, the dielectric constant has a higher value in the low-spin state. DFT calculations were carried out to determine the microscopic electronic polarizabilities, but these latter could not be correlated with the macroscopic permittivity changes pointing the importance of the effect of the counter-anions which must be necessarily taken into account in future DFT calculations.
dc.language.isoen
dc.publisherWiley
dc.subject.enDielectric properties of solids and liquids
dc.subject.enInfrared and Raman spectra
dc.subject.enDensity functional theory
dc.subject.enSpin crossover
dc.title.enOn the dielectric properties of the spin crossover complex [Fe(bpp)2] [BF4]2
dc.typeArticle de revue
dc.identifier.doi10.1002/pssa.200567103
dc.subject.halChimie/Matériaux
bordeaux.journalphysica status solidi (a)
bordeaux.page2974-2980
bordeaux.volume203
bordeaux.issue11
bordeaux.peerReviewedoui
hal.identifierhal-00104157
hal.version1
hal.popularnon
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00104157v1
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