Chemical pressure and hydrogen insertion effects in CeNiIn

Samir F. Matar (1) , Bernard Chevalier (1) , Volker Eyert (2) , Jean Etourneau (1)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 Institut für Physik

Electronic and magnetic properties of the intermediate valence indide CeNiIn and of its ferromagnetic hydride are self-consistently calculated within the local spin density functional theory using the augmented spherical wave (ASW) method treating cerium 4f band as valence states...

Mots clés: Ternary cerium indide; LSDA; DFT; Covalent bond energy; Band magnetism; Spin orbit coupling effects; ELF

Domaines: Matériaux

Samir F. Matar, Bernard Chevalier, Volker Eyert, Jean Etourneau. Chemical pressure and hydrogen insertion effects in CeNiIn. Solid State Sciences, 2003, 5 (10), pp.1385-1393. ⟨10.1016/S1293-2558(03)00182-1⟩. ⟨hal-00171183⟩