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
Language
fr
Article de revue
This item was published in
Lebanese Science Journal. 2005, vol. 6 (2), p. 107-117
National Council for Scientific Research in Lebanon
English Abstract
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 ...Read more >
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...Read less <
English Keywords
Hydrides
Chemical bond
DFT
LSDA
Electronic properties
Laves phases
Origin
Hal imported