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.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
| dc.contributor.author | NAKHL, M. | |
| hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
| dc.contributor.author | ZAKHOUR, M. | |
| hal.structure.identifier | Faculté des Sciences et de Génie Informatique | |
| dc.contributor.author | OUAINI, N. | |
| dc.date.issued | 2005 | |
| dc.identifier.issn | 1561-3410 | |
| dc.description.abstractEn | The 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.iso | fr | |
| dc.publisher | National Council for Scientific Research in Lebanon | |
| dc.subject.en | Hydrides | |
| dc.subject.en | Chemical bond | |
| dc.subject.en | DFT | |
| dc.subject.en | LSDA | |
| dc.subject.en | Electronic properties | |
| dc.subject.en | Laves phases | |
| dc.title | 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 | |
| dc.type | Article de revue | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Lebanese Science Journal | |
| bordeaux.page | 107-117 | |
| bordeaux.volume | 6 (2) | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00018819 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00018819v1 | |
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