Ab initio analysis of magnetovolume versus chemical effects in CeRuSi and its hydride

Samir F. Matar (1)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux

The change from heavy fermion to antiferromagnetic behavior of intermetallic system CeRuSi upon hydrogenation is addressed on bases of lattice expansion and chemical bonding effects within the density-functional theoretical framework using all electron scalar-relativistic augmented spherical wave method...

Mots clés: DFT (density functional theory); ASW (augmented spherical wave); Cerium Ruthenium Silicide; Intermetallic Hydrides

Domaines: Matériaux

Samir F. Matar. Ab initio analysis of magnetovolume versus chemical effects in CeRuSi and its hydride. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (10), 104422 (6 p.). ⟨10.1103/PhysRevB.75.104422⟩. ⟨hal-00138947⟩