Abstract
The electronic and magnetic structures of HT-UCo2Ge2 (high temperature form), UGe3 and of the new intermetallic system U3Co4Ge7 are self-consistently calculated within the local spin density functional theory using the augmented spherical wave (ASW) method. The influence of hybridisation on the chemical bonding and magnetic behaviour is discussed from the densities of states (DOS) as well as from the crystal orbital overlap population (COOP) which was recently combined with the ASW method. From this we address the modifications of both chemical bonding characteristics and of magnetic polarisations of uranium and cobalt in HT-UCo2Ge2 and UGe3, these two compounds being considered as the building blocks of U3Co4Ge7.
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