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Electronic density distorsion of NiO2 due to intercalation by Li.

hal.structure.identifierInstitut de minéralogie et de physique des milieux condensés [IMPMC]
dc.contributor.authorCHABAUD, Sylvie
hal.structure.identifierInstitut de minéralogie et de physique des milieux condensés [IMPMC]
dc.contributor.authorBELLIN, Ch.
hal.structure.identifierInstitut de minéralogie et de physique des milieux condensés [IMPMC]
dc.contributor.authorMAURI, Francesco
hal.structure.identifierInstitut de minéralogie et de physique des milieux condensés [IMPMC]
dc.contributor.authorLOUPIAS, G.
hal.structure.identifierDepartment of Electrical and Systems Engineering
dc.contributor.authorRABII, S.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCROGUENNEC, Laurence
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorPOUILLERIE, Caroline
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDELMAS, Claude
hal.structure.identifierEuropean Synchrotron Radiation Facility [ESRF]
dc.contributor.authorBUSLAPS, Th.
dc.date.issued2004
dc.identifier.issn0022-3697
dc.description.abstractEnHigh resolution measurements of Compton profiles of LixNiO2 have been carried out using 60 keV photons at ESRF (Grenoble, France). Theoretical profiles are obtained using the plane wave expansion of wave functions calculated using ab-initio SCF method. Theory and experiment are in good agreement. We have further decomposed the charge density modification into a rigid charge transfer from lithium to eg* states of NiO2 and the distorsion of NiO2 charge density mainly due to Ni–O bond changes resulting from lattice parameter change and Jahn-Teller effect.
dc.language.isoen
dc.publisherElsevier
dc.title.enElectronic density distorsion of NiO2 due to intercalation by Li.
dc.typeArticle de revue
dc.identifier.doi10.1016/j.jpcs.2003.10.021
dc.subject.halChimie/Matériaux
bordeaux.journalJournal of Physics and Chemistry of Solids
bordeaux.page241-243
bordeaux.volume65
bordeaux.issue2-3
bordeaux.peerReviewedoui
hal.identifierhal-00086921
hal.version1
hal.popularnon
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00086921v1
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