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Etude ab initio de l'effet d'insertion de l'hydrogène sur les propriétés magnétiques et chimiques dans les phases de laves : cas de ZrFe2

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierLaboratoire de Chimie Physique des Matériaux [LCPM]
dc.contributor.authorNAKHL, M.
hal.structure.identifierLaboratoire de Chimie Physique des Matériaux [LCPM]
dc.contributor.authorZAKHOUR, M.
hal.structure.identifierFaculté des Sciences et de Génie Informatique
dc.contributor.authorOUAINI, N.
dc.date.issued2005
dc.identifier.issn1561-3410
dc.description.abstractEnThe electronic and magnetic properties of the cubic Laves phases ZrFe2 and of its hydride ZrFe2H3,5 are studied within the density functional theory (DFT) in its local spin density approximation (LSDA) for the purpose of assessing the interplay between chemical pressures versus chemical bonding effects due to the insertion of hydrogen...
dc.language.isofr
dc.publisherNational Council for Scientific Research in Lebanon
dc.subject.enHydrides
dc.subject.enChemical bond
dc.subject.enDFT
dc.subject.enLSDA
dc.subject.enElectronic properties
dc.subject.enLaves phases
dc.titleEtude ab initio de l'effet d'insertion de l'hydrogène sur les propriétés magnétiques et chimiques dans les phases de laves : cas de ZrFe2
dc.typeArticle de revue
dc.subject.halChimie/Matériaux
bordeaux.journalLebanese Science Journal
bordeaux.page107-117
bordeaux.volume6 (2)
bordeaux.peerReviewedoui
hal.identifierhal-00018819
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00018819v1
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