Ab initio investigation of the electronic structures of ternary germanides CeRhGe and CeIrGe

Samir F. Matar (1) , Etienne Gaudin (1) , Bernard Chevalier (1) , Rainer Pöttgen (2)

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

We present first results of ab initio computations within the density functional theory in order to study the differences in chemical bonding and the experimentally observed different magnetic behaviour of the orthorhombic, TiNiSi related ternary germanides CeRhGe (antiferromagnet) and CeIrGe (intermediate valence compound)...

Mots clés: Cerium; Ternary germanides; Electronic structure

Domaines: Matériaux

Samir F. Matar, Etienne Gaudin, Bernard Chevalier, Rainer Pöttgen. Ab initio investigation of the electronic structures of ternary germanides CeRhGe and CeIrGe. Solid State Sciences, 2007, 9 (3-4), pp.274-278. ⟨10.1016/j.solidstatesciences.2006.12.006⟩. ⟨hal-00143775⟩