Calculated electronic and magnetic structure of UNi2Al3 and UPd2Al3

The electronic band structure of UNi₂Al₃ and UPd₂Al₃ is calculated in the local spin-density functional approximation using the self-consistent scalar relativistic ASW-method including spin-orbit coupling. The chemical bond is discussed qualitatively and an explanation is given for the small observed magnetic moments ofU in terms of nearly compensating spin and orbital moments. Calculated total energies are used to discuss a number of possible ground state magnetic-moment configurations.