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

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). The calculations reveal strong contributions of the cerium 4f states at the Fermi level. Ingoing from CeRhGe to CeIrGe stronger Ce–Ir versus Ce–Rh interactions are found.

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