hal.structure.identifier	Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.author	MATAR, Samir F.
dc.date.issued	2009
dc.identifier.issn	0009-2614
dc.description.abstractEn	Band 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.iso	en
dc.publisher	Elsevier
dc.title.en	Electronic structure and lattice anisotropy of Cd(UO<sub>2</sub>)0<sub>2</sub>
dc.type	Article de revue
dc.identifier.doi	10.1016/j.cplett.2009.06.027
dc.subject.hal	Chimie/Matériaux
bordeaux.journal	Chemical Physics Letters
bordeaux.page	213-217
bordeaux.volume	476
bordeaux.issue	4-6
bordeaux.peerReviewed	oui
hal.identifier	hal-00408425
hal.version	1
hal.popular	non
hal.audience	Internationale
hal.origin.link	https://hal.archives-ouvertes.fr//hal-00408425v1
bordeaux.COinS	ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemical%20Physics%20Letters&rft.date=2009&rft.volume=476&rft.issue=4-6&rft.spage=213-217&rft.epage=213-217&rft.eissn=0009-2614&rft.issn=0009-2614&rft.au=MATAR,%20Samir%20F.&rft.genre=article

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Electronic structure and lattice anisotropy of Cd(UO<sub>2</sub>)0<sub>2</sub>