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hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
dc.date.issued2009
dc.identifier.issn0009-2614
dc.description.abstractEnBand theoretical results are presented on cadmium uranate, based on computations within the density functional theory. For isotropic volume change the bulk modulus amounts to 166 GPa but larger values are found for anisotropic compression along the crystal axes with highest magnitude, Bb-axis aniso = 423 GPa along O–U–O, within which the strongest bonding is found. This leads to propose a major role for uranyl cation as a building block of the system, formulated as Cd(UO<sub>2</sub>)O<sub>2</sub>.
dc.language.isoen
dc.publisherElsevier
dc.title.enElectronic structure and lattice anisotropy of Cd(UO<sub>2</sub>)0<sub>2</sub>
dc.typeArticle de revue
dc.identifier.doi10.1016/j.cplett.2009.06.027
dc.subject.halChimie/Matériaux
bordeaux.journalChemical Physics Letters
bordeaux.page213-217
bordeaux.volume476
bordeaux.issue4-6
bordeaux.peerReviewedoui
hal.identifierhal-00408425
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00408425v1
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