Local spin density functional investigations of the ternary systems UT2Ge2 (T=Mn,Fe)

The electronic and magnetic structures of the ferromagnetic UMn2Ge2 and the paramagnetic UFe2Ge2 intermetallic systems are investigated ab initio and self-consistently within the Local Spin-Density Functional (LSDF) using the Augmented Spherical Wave (ASW) method. Agreement with experiment for the magnetic ordering as well as for the magnitudes of magnetization are found when spin-orbit coupling effects are included. Further, we discuss the chemical bonding within these systems from the Crystal Orbital Overlap Populations (COOP) which allow to assign a bonding or anti-bonding character for pair interactions.